phenyl (3E)-5,6-bis(oxidanyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate

Systemtic Name: phenyl (3E)-5,6-bis(oxidanyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5,6-dihydroxy-isoindoline-2-sulfonate CAS Name: (3E)-5,6-dihydroxy-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5,6-dihydroxy-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5,6-dihydroxy-isoindoline-2-sulfonic acid phenyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)OC4=CC=CC=C4)O)O

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)OC4=CC=CC=C4)O)O

InChI

InChI=1S/C21H17NO5S/c23-20-12-16-14-22(28(25,26)27-17-9-5-2-6-10-17)19(18(16)13-21(20)24)11-15-7-3-1-4-8-15/h1-13,23-24H,14H2/b19-11+