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 6 results

Search term: BTSHHJQHTVNSLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
154466

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,23+,24+,25+,26-,27?/m1/s1
C27H42O5446.61944400
154467

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21+,23-,24-,25-,26+,27?/m0/s1
C27H42O5446.61943300
8917372

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15-,16?,17?,18?,19+,20+,21+,23?,24?,25-,26+,27+/m0/s1
C27H42O5446.61942100
8941124

8 of 13 defined stereocentres - 8/13 defined
InChI=1/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16?,17?,18?,19-,20-,21-,23?,24?,25+,26-,27-/m1/s1
C27H42O5446.61942100
23339608

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,23+,24+,25+,26-,27-/m1/s1
C27H42O5446.61942200
103885194

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-21,23-24,28-29H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21+,23-,24-,25-,26+,27+/m0/s1
C27H42O5446.61941100

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