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: GFYVPCSJDJYLJE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4371924

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H53N3O9/c1-6-20-45-36-31(39(5)35(43)44-8-3)23-29(38-46-9-4)27-21-24(14-10-12-18-40)26(15-11-13-19-41)32(33(27)36)28-22-25(16-17-30(28)48-36)47-34(42)37-7-2/h6,16-17,21-22,24,26,31-33,40-41H,1,7-15,18-20,23H2,2-5H3,(H,37,42)
C36H53N3O9671.8207199999984400
5060863

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H53N3O9/c1-6-20-45-36-31(39(5)35(43)44-8-3)23-29(38-46-9-4)27-21-24(14-10-12-18-40)26(15-11-13-19-41)32(33(27)36)28-22-25(16-17-30(28)48-36)47-34(42)37-7-2/h6,16-17,21-22,24,26,31-33,40-41H,1,7-15,18-20,23H2,2-5H3,(H,37,42)/t24-,26+,31-,32+,33+,36+/m0/s1
C36H53N3O9671.82072100
95638162

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H53N3O9/c1-6-20-45-36-31(39(5)35(43)44-8-3)23-29(38-46-9-4)27-21-24(14-10-12-18-40)26(15-11-13-19-41)32(33(27)36)28-22-25(16-17-30(28)48-36)47-34(42)37-7-2/h6,16-17,21-22,24,26,31-33,40-41H,1,7-15,18-20,23H2,2-5H3,(H,37,42)/b38-29+
C36H53N3O9671.82071100

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