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:Manual of Style/Chemistry/Structure drawing - Knowledge

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42: 1339: 1415: 1207:. This enables images to be used in other Knowledge languages and other Wikimedia projects and makes updating images much easier, it also saves someone else having to move the structure to Commons later. It is also simpler to find images in the Commons category structure compared to Knowledge. To upload images to the Commons, you must be a registered user there. Due to the 441:. Other previous versions were called Accelrys Draw and SymyxDraw. The program can read and write many file formats, other than its proprietary sketch file format (.skc) and can export PNG files. If SVG files are required, it is recommended that structure diagrams be exported as enhanced metafiles (.emf) which can be read by Inkscape and other image editors.. 1272:{{Information | Description= {{en|Chemical structure of ]}} | Source= {{Own}} | Date= 2024-09-21 | Author= ~~~ | Permission= {{PD-chem}} | other_versions= }} == Comments == High-resolution black/white .PNG made with ] and ] — see ] for detailed instructions. Please drop me a note if you need the source file. ] 931:
is an easy to handle 3D-model generator of molecules, with the objective to execute the structural determination within a particular low time investment. This advantage is bought by a divergence from the ideal geometry. For instance, the program works with presets. To which extent these divergences
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The configuration is extremely limited and post-processing is likely required. The only useful thing in "Format → Drawing settings..." is "Double bond spacing", which should be set to 18% of bond length, i.e. 5 pixels (integers only!) for the default 25-pixel bonds. Actual pixel sizes don't matter
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file (.eps) - many of the Apple print drivers (an Apple printer is not required) that print to a PostScript printer can be set to EPS in the print dialog options, thus printing to a file generates an suitable EPS file (HP printers with PS in the name e.g. "HP LaserJet 2300 Series PS" also work -
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is not advised as it can cause accessibility problems on a white background. Within a given article, diagrams should be consistent, which means in most cases they should use black and white except as highlighting to emphasize a particular point in specific diagrams. In all cases the advice at
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to search these large databases by structure or substructure. The program can read and write in many file formats including export of PNG files. If SVG files are required, it is recommended that structure diagrams be exported as enhanced metafiles (.emf) which can be read by
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are tolerable depends on the individual case and on quality demands. CORINA is not “foolproof”. Pseudochirality centers may turn out as pitfalls (e.g. amines that are chiral in protonated form). These specifics are to be considered in the
1280:{{Information | Description= {{en|Chemical structure of ]}} | Source= {{Own}} | Date= 2024-09-21 | Author= ~~~ | Permission= {{PD-chem}} | other_versions= }} == Comments == CD-SVG file made with ] — see ] for detailed instructions. ] 944:
Most molecule editors cannot produce .PNG images directly with the requirements outlined above. The image processing step also allows a canvas (margin) to be added (this is usually absent from the molecule editor output).
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There tends to be an unreasonably large margin left around the diagram's extents, so it is often a good idea to crop the image in a vector program such as Inkscape before uploading it. Leave a small margin of 1.6 pt.
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This image of a simple structural formula is ineligible for copyright and therefore in the public domain, because it consists entirely of information that is common property and contains no original authorship
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SVG images are desirable because they are infinitely scalable, while remaining compact. However, support for SVG images among common molecule editors is limited, and may not be rendered correctly on Knowledge.
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to make the background transparent. Another option is to open the file with Inkscape, right-click on the structure and select "Ungroup", then click anywhere on the white background and hit delete, then save
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Draw the structure in your molecule editor (ideally change the settings to give a molecule twice the size as the JACS standard or change the size to 200% before next step), and save it as an
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format. PNG images should be around 600–720 dpi. A transparent background should be used. Images should still be readable when scaled down to 450 pixels to prevent conflicts with the
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If you drew the structure before applying any settings, then you need to select the object, open the “Object” menu and choose “Apply document settings from → ACS Document 1996”.
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Save as: TIFF black/white bitmap with a resolution of 720 dpi (small molecules) to 240 dpi (large molecules) (in ChemDraw under the Options button in the Save as TIFF dialog).
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files are preferred, because they are smaller in filesize, can generate high quality images for printing and are easier to translate if text is added to mechanism.
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For articles on racemates, the stereochemistry should be depicted as undefined (straight and not wavy nor wedged bonds attached to the stereogenic center).
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NB:SymyxDraw will usually add a full page rectangle to the drawing - ungroup, select rectangle and delete, then select all and re-group structure.
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Alternative (but little more complex) way to generate high quality and small size SVG files. One needs to download and install both Scribus and
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Add canvas of about 5% to each side (test it, usually around 30 pixels) (Photoshop: Image:Canvas Size, relative, 10% width, 10% height)
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The use of explicit methyl groups in the following cases is a stylistic choice, and both forms are generally acceptable on Knowledge:
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Open the PostScript file in Scribus. Note the image size and set the paper size to about 10px larger than the largest dimension.
1427: 1356: 1498:. A guide to drawing chemical structures. Covers topics such as the use of wedged and wavy bonds, bond angles, and perspective. 385: 1516: 1475: 222: 205: 1424: 1353: 1009: 520: 1385: 1300: 1246: 987: 424: 369:
Scanned images tend to be of poor quality. Scanned images of books or journals may violate copyright. Do not upload them.
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settings should be used for both structures and reaction schemes. These settings are normally available as templates in
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It is not necessary to color-code atoms according to element in structure drawings but if done the conventions of the
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This page provides additional information about concepts in the page(s) it supplements. This page is not one of
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These guidelines are necessarily quite technical, and are intended for editors with some experience of drawing
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Also recommended: For minus symbols on atoms, change the font for the minus symbol to “Symbol” for clarity.
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If labels for structures are desired, consider the use of bolded numerals, which are language-neutral.
1452: 1398: 244: 177: 125: 17: 647:) to get configuration according to Knowledge's Manual of Style. It should work on any system with 1051: 981: 98: 1175: 292:). The use of “Et”, “Pr”, etc., is discouraged. By default, “Ph” denotes phenyl and “X” halogen. 1492: 1381: 1322: 105: 928: 1144:
Resize the picture about 400%, then click to File→Document Properties→Fit page to selection.
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Browse to your file and select it. Optionally, change the final image name in the box below
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Do not select a licensing from the upload form — the tags are already in the pasted text
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Do not include English text in images: this prevents their reuse in other languages.
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Replace the “...” with the Knowledge article name and your username, respectively
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There is a free, open source program called WinDrawChem (the Windows version of
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From the “File” menu, choose “Apply document settings from → ACS Document 1996”.
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and reaction schemes. For a less technical overview of the issues involved, see
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Draw the structure in your molecule editor, and save it as a Windows Metafile (
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Save as a PNG black/white bitmap (color depth: 2) with transparent background.
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Change your structure to the most specific subcategory (or subcategories) of
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ChemDraw exports svgs with a white background. You may use the vbs script at
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code, i.e. the correct relative energy minimum is to be manually assured.
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Chemical structures and reaction schemes should conform to the following:
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From the "Options" menu, choose "Set Structure Drawing Style" → ACS Style
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methyl groups attached to a ring or as branches in a longer carbon chain;
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scheme should be used. Note, however, that the use of yellow () for
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is freeware available for personal, home, and educational use from
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Select the molecule and click Path→Object to path. (to workaround
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Then save it as a PNG file, to be read by an image editor such as
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Knowledge essays and information pages about the Manual of Style
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Change the filename extension to “.svg” or choose the file type
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Export the file as PNG or EMF for further processing (see below)
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and freely available for academic and non-commercial users from
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Export the file as PNG or EMF for further processing (see below)
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The following two changes in font may be performed by going to
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Choose Scalable Vector Graphics (*.svg) as the save as format.
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From the "Options" menu, choose "Load Settings" → ACS document
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should be included if available (e.g. by using wedged bonds).
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C:\Documents and Settings\{username}\application data\bkchem
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Explanatory essay about Knowledge:Manual of Style/Chemistry
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ideal for Windows 7 where Apple drivers are hard to find)
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Graphical Representation of Stereochemical Configuration
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converter and you should end up with a very light SVG.
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Indexes used for labelling must be superscripted: R-CH
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The following templates can be used on Knowledge and
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Carbon labels: Never (which may be done by going to
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The quality of this chemical structure is disputed.
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supports this, as does ChemSketch and BIOVIA Draw (
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Draw the structure, and save it as a ChemDraw file.
429:BIOVIA Draw is the current version of the original 1220:uploaded images must have a correct copyright tag: 550:The following three may be performed by going to 28:Knowledge:WikiProject Chemistry/Structure drawing 1508: 1211:, you might already have an account on Commons ( 603:users should follow the XDrawChem article link. 579:Stereocenter display may be enabled by choosing 575:Down wedge orientation: Points Upward (Daylight) 513:Bond angles and length: “fixed” is recommended 1154:Click File→Save as to save file as Plain SVG. 1066:Scalable Vector Graphics / SVG (*.svg *.svgz) 674:"http://www.freesoftware.fsf.org/bkchem/cdml" 964:Image processing (Photoshop or Irfan view): 615:There is a free, open source program called 607:considering we will be doing an SVG report. 1437:Please discuss the issue on this diagram's 1366:Please discuss the issue on this diagram's 1315:to mark wrong or poor chemical structures: 1287:The date is already set to the current date 637:C:\Users\{username}\application data\bkchem 301:methyl groups at the end of a carbon chain. 1457:Category:Chemical structure quality issues 1036:Upload the resulting PDF to the Texterity 1027:Draw the structure in ChemDraw 12 or later 997:Draw the structure in ChemDraw 12 or later 1263:Paste this text to the summary template: 280:Methyl groups should be denoted with “CH 1190:Go to File → Export → Save page as SVG. 14: 1509: 448:Draw the structure or reaction diagram 417:Draw the structure or reaction diagram 1527:Knowledge Manual of Style (chemistry) 1476:Knowledge:Preparing images for upload 1344:This chemical structure or diagram's 223:Knowledge:Molecular structure diagram 1409: 1333: 1010:User:Smallman12q/Scripts/Transperify 378:ACS templates are available in most 36: 1386:Category:Disputed chemical diagrams 1170:to archieve EPS to SVG conversion. 55:Knowledge:Manual of Style/Chemistry 34: 587:Drawing with WinDrawChem/XDrawChem 374:Suggested molecule editor settings 67:thoroughly vetted by the community 63:Knowledge's policies or guidelines 35: 1543: 1522:Chemical structure quality issues 1481:User:Benjah-bmm27/MakingMolecules 1446:Knowledge structure drawing guide 1375:Knowledge structure drawing guide 564:Circled charge labels font: Arial 482:The ACS settings are as follows: 1413: 1337: 1141:Open the saved file in Inkscape. 1043:Alternative free SVG converter: 1033:Choose PDF as the save as format 40: 1260:(you may want to bookmark this) 1134:), or Encapsulated Postscript ( 1122:is preferable for the latter). 1106:This method works only if your 581:View → Stereo → R/S Labels: All 504:Hash spacing: 0.088 cm (2.5 pt) 501:Margin width: 0.056 cm (1.6 pt) 492:Bond length: 0.508 cm (14.4 pt) 561:Wireframe bond thickness: 0.06 541:Edit → Preferences → Structure 237:Images should be drawn with a 13: 1: 1317: 817:<?xml version="1.0" ?: --> 659:<?xml version="1.0" ?: --> 595:) that appears to work well. 498:Line width: 0.021 cm (0.6 pt) 351:Images should be uploaded in 1517:Knowledge supplemental pages 1205:not to the English Knowledge 552:Edit → Preferences → Display 7: 1404:{{Low quality chem|reason}} 1399:{{Low quality chem|reason}} 1301:Category:Chemical compounds 1247:Category:Chemical compounds 1242:this pre-filled upload form 1110:is able to export files in 495:Bold width: 0.071 cm (2 pt) 489:Bond spacing: 18% of length 219:chemical structure diagrams 10: 1548: 1496:IUPAC Recommendations 2006 1239:The easiest way is to use 570:Edit → Preferences → Bonds 74: 1453:Template:Low quality chem 1232:- this will add the text 957:ChemDraw / ChemBioDraw 11 558:Double bond spacing: 0.18 546:View → Colors: Monochrome 410:and other image editors. 386:Drawing in ACD/Chemsketch 380:chemical drawing programs 249:chemical drawing programs 18:Knowledge:Manual of Style 1328:{{Disputed chem|reason}} 1323:{{Disputed chem|reason}} 1199:Please upload images to 1086:box and, finally, click 894:</use_real_minus: --> 814: 696:</author_program: --> 656: 510:Atom labels: Arial 10 pt 486:Chain angle: 120 degrees 478:(see below for details). 346:Technical considerations 1195:Uploading and copyright 1176:Encapsulated PostScript 521:Drawing in MarvinSketch 1130:), Enhanced Metafile ( 1059:File → Export to Image 913:</bkchem-prefs: --> 878:</recent-file2: --> 865:</recent-file1: --> 433:program, now owned by 425:Drawing in Biovia Draw 1114:format. For example, 910:</default-dir: --> 820:<bkchem-prefs: --> 527:File → Document Style 507:Captions: Arial 10 pt 106:MOS:Structure drawing 1346:factual accuracy is 1252:Alternative method: 1149:commons:librsvg bugs 1045:Online SVG converter 1030:Go to File → Save As 1000:Go to File → Save As 977:Generating SVG files 940:Generating PNG files 342:should be followed. 456:Drawing in ChemDraw 65:as it has not been 1052:Using MarvinSketch 881:<use_real_minus 852:</geometry: --> 804:</standard: --> 747:paper_orientation= 735:paper_crop_margin= 683:<author_program 309:Information about 99:WP:Chem/Structures 92:MOS:CHEM/Structure 1467: 1466: 1463: 1462: 1392: 1391: 1209:single user login 1201:Wikimedia Commons 1084:Use Alpha Channel 1014: 611:Drawing in BKChem 435:Dassault Systèmes 401:, eMolecules and 255:fonts like Arial. 215: 214: 173:Structure drawing 116: 115: 51:explanatory essay 26:(Redirected from 1539: 1425:Page last edited 1417: 1416: 1410: 1354:Page last edited 1341: 1340: 1334: 1318: 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ago 1420: 1401: 1372: 1361: 1357:250 days ago 1345: 1325: 1310: 1251: 1240: 1238: 1233: 1219: 1217: 1204: 1198: 1165: 1135: 1131: 1127: 1119: 1105: 1093: 1087: 1083: 1076: 1069: 1068:, and click 1065: 1058: 1006: 980: 956: 943: 927: 903:"StringType" 874:"StringType" 861:"StringType" 845:"StringType" 839:<geometry 829:"StringType" 812:prefs.xml : 811: 777:wedge-width= 711:font_family= 702:<standard 653: 651:and Tcl/Tk. 614: 605: 590: 580: 578: 569: 567: 551: 549: 540: 526: 524: 516: 481: 428: 389: 377: 328: 325:Use of color 289: 252: 232: 216: 172: 168:Nomenclature 124: 48: 1397:Knowledge: 1321:Knowledge: 1276:For BKchem: 1258:upload page 1222:please add 1168:Ghostscript 1151:with fonts) 753:paper_type= 729:line_width= 723:line_color= 705:area_color= 533:Font: Arial 49:This is an 1511:Categories 1444:See also: 1373:See also: 1256:Go to the 1218:As usual, 1213:check here 1082:Check the 1022:12 for Mac 750:"portrait" 717:font_size= 403:Chemspider 253:sans-serif 193:Categories 1451:Usage: {{ 1439:talk page 1402:Commons: 1380:Usage: {{ 1368:talk page 1326:Commons: 1307:Templates 919:3D Models 887:"IntType" 792:<arrow 645:Windows 7 625:~/.bkchem 601:Unix-like 593:XDrawChem 476:IrfanView 431:ISIS/Draw 262:-R (not R 201:Templates 153:Chemicals 148:Chemboxes 134:Chemistry 77:Shortcuts 22:Chemistry 1470:See also 1348:disputed 1116:ChemDraw 1101:Inkscape 1075:Set the 1020:ChemDraw 990:ChemDraw 823:<lang 786:"0.21cm" 780:"0.18cm" 762:<bond 732:"0.06cm" 689:"0.12.2" 686:version= 665:version= 662:<cdml 649:Python 2 408:Inkscape 340:WP:color 206:citation 85:MOS:CSDG 20:‎ | 1313:Commons 1227:PD-chem 1161:Scribus 1038:FreeSVG 798:"1.6cm" 795:length= 774:"1.4cm" 771:length= 756:"Legal" 714:"Arial" 399:PubChem 395:ACDlabs 361:Chembox 229:General 1433:reason 1362:reason 1159:Using 1099:Using 1057:Click 1018:Using 1013:again. 988:Using 934:SMILES 801:/: --> 789:/: --> 783:width= 768:"0.85" 726:"#000" 694:BKchem 671:xmlns= 668:"0.15" 617:BKchem 439:BIOVIA 335:sulfur 290:Metall 251:. Use 178:Safety 53:about 1503:Notes 1077:Scale 906:: --> 900:type= 890:: --> 884:type= 877:: --> 871:type= 864:: --> 858:type= 848:: --> 842:type= 832:: --> 826:type= 759:: --> 692:: --> 677:: --> 641:Vista 635:) or 163:InChI 16:< 1203:and 1136:.eps 1132:.emf 1128:.wmf 1120:.emf 1088:Save 1070:Save 720:"24" 621:link 597:Link 472:GIMP 331:Jmol 313:and 1249:). 1215:). 982:SVG 744:"1" 738:"5" 474:or 357:SVG 355:or 353:PNG 266:-CH 245:ACS 1513:: 1230:}} 1224:{{ 1138:). 834:en 708:"" 643:/ 633:XP 599:. 583:. 554:: 529:) 382:. 270:-R 225:. 58:. 1449:. 1441:. 1435:. 1378:. 1370:. 1364:. 1350:. 1090:. 1072:. 1061:. 1047:. 908:~ 892:0 639:( 631:( 619:( 543:) 363:. 286:2 282:3 274:) 272:2 268:2 264:1 260:2 208:) 204:( 69:. 30:)

Index

Knowledge:Manual of Style
Chemistry
Knowledge:WikiProject Chemistry/Structure drawing
explanatory essay
Knowledge:Manual of Style/Chemistry
Knowledge's policies or guidelines
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Shortcuts
MOS:CSDG
MOS:CHEM/Structure
WP:Chem/Structures
MOS:Structure drawing
Manual of Style
Chemistry
Article titles
Chemboxes
Chemicals
Compound classes
InChI
Nomenclature
Structure drawing
Safety
References and
external links

Templates
citation
chemical structure diagrams
Knowledge:Molecular structure diagram
molecule editor
ACS
chemical drawing programs

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