diphenyl (3E)-6-(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-2,5-disulfonate

Systemtic Name: diphenyl (3E)-6-(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-2,5-disulfonate Openeye Name: diphenyl (3E)-3-benzylidene-6-(2-hydroxyphenyl)isoindoline-2,5-disulfonate CAS Name: (3E)-6-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-2,5-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3E)-3-benzylidene-6-(2-hydroxyphenyl)-1H-isoindole-2,5-disulfonate Traditional Name: (3E)-3-benzal-6-(2-hydroxyphenyl)isoindoline-2,5-disulfonic acid diphenyl ester Formula: C33H25NO7S2 MolecularWeight: 611.6841

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)C(=CC5=CC=CC=C5)N1S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)/C(=C\C5=CC=CC=C5)/N1S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H25NO7S2/c35-32-19-11-10-18-28(32)30-21-25-23-34(43(38,39)41-27-16-8-3-9-17-27)31(20-24-12-4-1-5-13-24)29(25)22-33(30)42(36,37)40-26-14-6-2-7-15-26/h1-22,35H,23H2/b31-20+