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

Systemtic Name: phenyl (3E)-5,6-bis(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5,6-bis(2-hydroxyphenyl)isoindoline-2-sulfonate CAS Name: (3E)-5,6-bis(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5,6-bis(2-hydroxyphenyl)-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5,6-bis(2-hydroxyphenyl)isoindoline-2-sulfonic acid phenyl ester Formula: C33H25NO5S MolecularWeight: 547.6203

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)C4=CC=CC=C4O)C(=CC5=CC=CC=C5)N1S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)C4=CC=CC=C4O)/C(=C\C5=CC=CC=C5)/N1S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H25NO5S/c35-32-17-9-7-15-26(32)29-20-24-22-34(40(37,38)39-25-13-5-2-6-14-25)31(19-23-11-3-1-4-12-23)28(24)21-30(29)27-16-8-10-18-33(27)36/h1-21,35-36H,22H2/b31-19+