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

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

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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)CC5=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)OC4=CC=CC=C4)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C34H27NO6S2/c36-42(37,40-30-17-9-3-10-18-30)34-24-29-25-35(43(38,39)41-31-19-11-4-12-20-31)33(22-27-15-7-2-8-16-27)32(29)23-28(34)21-26-13-5-1-6-14-26/h1-20,22-24H,21,25H2/b33-22+