Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 39 results

Search term: UQVIXFCYKBWZPJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85012

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
C21H30O3330.4611534103
242405

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3
C21H30O3330.4611161500
21377165

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14?,15-,16+,17+,18?,19+,20+,21-/m1/s1
C21H30O3330.461114600
17466775

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16?,17?,18-,19+,20+,21-/m1/s1
C21H30O3330.46118400
21782182

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18?,19-,20-,21+/m0/s1
C21H30O3330.46118500
17346657

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14?,15?,16?,17?,18-,19?,20?,21-/m1/s1
C21H30O3330.46117300
17467252

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16?,17?,18+,19-,20-,21+/m0/s1
C21H30O3330.46117300
197561

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
C21H30O3330.46117800
21111995

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14?,15?,16-,17-,18?,19?,20?,21?/m0/s1
C21H30O3330.46115201
21587203

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14?,15-,16+,17+,18-,19+,20+,21-/m1/s1
C21H30O3330.46115300
5567137

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19-,20-,21+/m0/s1
C21H30O3330.46114300
5567138

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16+,17+,18+,19-,20-,21+/m0/s1
C21H30O3330.46113200
808693

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16-,17+,18+,19+,20-,21+/m1/s1
C21H30O3330.46113200
10050381

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,21-/m1/s1
C21H30O3330.46112100
10050382

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16-,17-,18-,19+,20+,21-/m1/s1
C21H30O3330.46112100
10050383

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16+,17+,18-,19+,20+,21-/m1/s1
C21H30O3330.46112100
10050384

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16+,17-,18-,19+,20+,21-/m1/s1
C21H30O3330.46112100
10050556

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1
C21H30O3330.46112100
10065792

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16+,17+,18+,19-,20+,21+/m0/s1
C21H30O3330.46112100
10068273

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
C21H30O3330.46112100
12

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