diphenyl (3Z)-2-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5,6-disulfonate

Systemtic Name: diphenyl (3Z)-2-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5,6-disulfonate Openeye Name: diphenyl (1Z)-2-benzyl-1-benzylidene-isoindoline-5,6-disulfonate CAS Name: (3Z)-2-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-5,6-disulfonic acid diphenyl ester IUPAC Name: diphenyl (3Z)-2-benzyl-3-benzylidene-1H-isoindole-5,6-disulfonate Traditional Name: (1Z)-1-benzal-2-benzyl-isoindoline-5,6-disulfonic acid diphenyl ester Formula: C34H27NO6S2 MolecularWeight: 609.71128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1CC4=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)/N1CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C34H27NO6S2/c36-42(37,40-29-17-9-3-10-18-29)33-22-28-25-35(24-27-15-7-2-8-16-27)32(21-26-13-5-1-6-14-26)31(28)23-34(33)43(38,39)41-30-19-11-4-12-20-30/h1-23H,24-25H2/b32-21-