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 5 results

Search term: JDLLUOFFUJQDGY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10374485

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C43H53NO14/c1-22-26(55-37(51)30(44-38(52)58-39(3,4)5)31(47)24-15-11-9-12-16-24)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)32(48)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30+,31-,32+,33-,35-,41+,42-,43+/m0/s1
C43H53NO14807.87923300
10374486

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C43H53NO14/c1-22-26(55-37(51)30(44-38(52)58-39(3,4)5)31(47)24-15-11-9-12-16-24)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)32(48)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
C43H53NO14807.87923300
23213313

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C43H53NO14/c1-22-26(55-37(51)30(44-38(52)58-39(3,4)5)31(47)24-15-11-9-12-16-24)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)32(48)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28?,30+,31+,32+,33-,35-,41+,42-,43+/m0/s1
C43H53NO14807.87922200
23213365

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C43H53NO14/c1-22-26(55-37(51)30(44-38(52)58-39(3,4)5)31(47)24-15-11-9-12-16-24)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)32(48)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28?,30-,31-,32+,33-,35-,41+,42-,43+/m0/s1
C43H53NO14807.87922200
23242576

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C43H53NO14/c1-22-26(55-37(51)30(44-38(52)58-39(3,4)5)31(47)24-15-11-9-12-16-24)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)32(48)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30?,31?,32+,33-,35-,41+,42-,43+/m0/s1
C43H53NO14807.87922200

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