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 12 results

Search term: MSGQPOBWYUXEOQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10044799

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
C21H32O3332.47716900
10050750

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14+,15+,16-,17-,18+,19-,20-,21+/m0/s1
C21H32O3332.47710600
132987

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18?,19-,20-,21+/m0/s1
C21H32O3332.4779800
2985686

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3
C21H32O3332.476989600
198875

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18-,19+,20+,21-/m1/s1
C21H32O3332.4774400
22889214

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18+,19?,20?,21+/m0/s1
C21H32O3332.4773100
838959

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20+,21-/m0/s1
C21H32O3332.4772100
838960

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20+,21-/m0/s1
C21H32O3332.4772100
10045889

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
C21H32O3332.4772100
10045890

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,18+,19-,20-,21+/m0/s1
C21H32O3332.4772100
110092414

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21+/m1/s1
C21H32O3332.4771100
113597982

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O3/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/h13-18,23H,4-11H2,1-3H3/t13-,14+,15+,16-,17-,18+,19-,20-,21+/m1/s1
C21H32O3332.4771100

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