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: CSQLTPPKKYNCMH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58917617

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25-,28+,29+,30+/m1/s1
C33H57N3O9639.82043300
58914531

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25+,28-,29-,30+/m1/s1
C33H57N3O9639.82042200
58917255

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24-,25+,28-,29-,30-/m0/s1
C33H57N3O9639.82042200
58917256

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25+,28-,29-,30+/m0/s1
C33H57N3O9639.82042200
58917440

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H57N3O9/c1-22(2)16-14-12-10-8-7-9-11-13-15-17-23(3)30-24(4)31(41)34-25(21-37)18-19-27(39)36(5)20-26(38)35-28(32(42)45-30)29(40)33(43)44-6/h18-19,22-25,28-30,37,40H,7-17,20-21H2,1-6H3,(H,34,41)(H,35,38)/b19-18+/t23-,24+,25-,28+,29+,30+/m0/s1
C33H57N3O9639.82042200

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