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 2 results

Search term: ZDHYHPKLGQQGAP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10142553

28 of 35 defined stereocentres - 28/35 defined
InChI=1/C60H98O30/c1-55(2)13-14-60(54(80)90-51-44(78)41(75)36(70)27(19-63)83-51)24(15-55)23-7-8-31-56(3)11-10-33(57(4,22-66)30(56)9-12-58(31,5)59(23,6)16-32(60)67)86-53-48(89-50-43(77)40(74)35(69)26(18-62)82-50)47(38(72)29(21-65)85-53)88-52-45(79)46(37(71)28(20-64)84-52)87-49-42(76)39(73)34(68)25(17-61)81-49/h7,24-53,61-79H,8-22H2,1-6H3/t24?,25-,26-,27-,28-,29-,30?,31?,32-,33?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,56?,57+,58?,59-,60?/m1/s1
C60H98O301299.40212200
103884532

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C60H98O30/c1-55(2)13-14-60(54(80)90-51-44(78)41(75)36(70)27(19-63)83-51)24(15-55)23-7-8-31-56(3)11-10-33(57(4,22-66)30(56)9-12-58(31,5)59(23,6)16-32(60)67)86-53-48(89-50-43(77)40(74)35(69)26(18-62)82-50)47(38(72)29(21-65)85-53)88-52-45(79)46(37(71)28(20-64)84-52)87-49-42(76)39(73)34(68)25(17-61)81-49/h7,24-53,61-79H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31+,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48+,49-,50-,51-,52-,53-,56-,57-,58+,59+,60+/m0/s1
C60H98O301299.40211100

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