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: ZUBXFMSQBHKVNC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34993593

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C34H50N4O9S.CH4O3S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42;1-5(2,3)4/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41);1H3,(H,2,3,4)/b10-9+,12-11+,23-18+;/t24-,25-,28-,31-,32-;/m1./s1
C35H54N4O12S2786.95295600
58190380

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C34H50N4O9S.CH4O3S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42;1-5(2,3)4/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41);1H3,(H,2,3,4)/b10-9-,12-11+,23-18?;/t24-,25-,28-,31?,32-;/m1./s1
C35H54N4O12S2786.95295400
64971521

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C34H50N4O9S.CH4O3S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42;1-5(2,3)4/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41);1H3,(H,2,3,4)/b10-9-,12-11+,23-18+;/t24-,25-,28-,31?,32-;/m1./s1
C35H54N4O12S2786.95295400
57621594

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C34H50N4O9S.CH4O3S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42;1-5(2,3)4/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41);1H3,(H,2,3,4)/b10-9-,12-11-,23-18-;/t24-,25-,28-,31?,32-;/m1./s1
C35H54N4O12S2786.95294200
52083539

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C34H50N4O9S.CH4O3S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42;1-5(2,3)4/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41);1H3,(H,2,3,4)/b10-9-,12-11-,23-18-;/t24-,25-,28-,31-,32-;/m1./s1
C35H54N4O12S2786.95291100

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