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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C5=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)S(=O)(=O)C5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

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