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 4 results

Search term: XQTYVRJXBNIGML (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
154364

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H46O7/c1-15(2)16-7-9-19-26(16,3)13-14-27(4)17-8-10-20-29(6,24(34)35)22(32)21(31)23(33)30(20,25(36)37)18(17)11-12-28(19,27)5/h8,15-16,18-23,31-33H,7,9-14H2,1-6H3,(H,34,35)(H,36,37)/t16-,18+,19-,20+,21+,22+,23-,26-,27-,28+,29+,30+/m1/s1
C30H46O7518.6828700
8250843

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C30H46O7/c1-15(2)16-7-9-19-26(16,3)13-14-27(4)17-8-10-20-29(6,24(34)35)22(32)21(31)23(33)30(20,25(36)37)18(17)11-12-28(19,27)5/h8,15-16,18-23,31-33H,7,9-14H2,1-6H3,(H,34,35)(H,36,37)/t16-,18?,19-,20?,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1
C30H46O7518.6822100
95641531

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C30H46O7/c1-15(2)16-7-9-19-26(16,3)13-14-27(4)17-8-10-20-29(6,24(34)35)22(32)21(31)23(33)30(20,25(36)37)18(17)11-12-28(19,27)5/h8,15-16,18-23,31-33H,7,9-14H2,1-6H3,(H,34,35)(H,36,37)
C30H46O7518.6822200
58816218

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C30H46O7/c1-15(2)16-7-9-19-26(16,3)13-14-27(4)17-8-10-20-29(6,24(34)35)22(32)21(31)23(33)30(20,25(36)37)18(17)11-12-28(19,27)5/h8,15-16,18-23,31-33H,7,9-14H2,1-6H3,(H,34,35)(H,36,37)/t16-,18+,19-,20+,21+,22+,23-,26-,27?,28+,29+,30?/m1/s1
C30H46O7518.6821100

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