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

Systemtic Name: diphenyl (3E)-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole-5,6-disulfonate Openeye Name: diphenyl (1E)-2-(benzenesulfonyl)-1-benzylidene-isoindoline-5,6-disulfonate CAS Name: (3E)-2-(benzenesulfonyl)-3-(phenylmethylene)-1H-isoindole-5,6-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3E)-2-(benzenesulfonyl)-3-benzylidene-1H-isoindole-5,6-disulfonate Traditional Name: (1E)-1-benzal-2-besyl-isoindoline-5,6-disulfonic acid diphenyl ester Formula: C33H25NO8S3 MolecularWeight: 659.7485

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H25NO8S3/c35-43(36,29-19-11-4-12-20-29)34-24-26-22-32(44(37,38)41-27-15-7-2-8-16-27)33(45(39,40)42-28-17-9-3-10-18-28)23-30(26)31(34)21-25-13-5-1-6-14-25/h1-23H,24H2/b31-21+