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 3 results

Search term: ADILCSOXYAUBHY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8186994

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24-,25+,26+,27?,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48+,49+,50-,51+,52+,53+/m0/s1
C53H86O231091.23612100
8709598

28 of 30 defined stereocentres - 28/30 defined
InChI=1/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24?,25+,26+,27?,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+/m0/s1
C53H86O231091.23612100
10193887

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48-,49+,50-,51-,52+,53+/m0/s1
C53H86O231091.23611100

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