triphenyl (3E)-3-(phenylmethylidene)-1H-isoindole-2,5,6-trisulfonate

Systemtic Name: triphenyl (3E)-3-(phenylmethylidene)-1H-isoindole-2,5,6-trisulfonate Openeye Name: triphenyl (1E)-1-benzylideneisoindoline-2,5,6-trisulfonate CAS Name: (3E)-3-(phenylmethylene)-1H-isoindole-2,5,6-trisulfonic acid triphenyl ester IUPAC Name: triphenyl (3E)-3-benzylidene-1H-isoindole-2,5,6-trisulfonate Traditional Name: (1E)-1-benzalisoindoline-2,5,6-trisulfonic acid triphenyl ester Formula: C33H25NO9S3 MolecularWeight: 675.7479

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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)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)OC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C33H25NO9S3/c35-44(36,41-27-15-7-2-8-16-27)32-22-26-24-34(46(39,40)43-29-19-11-4-12-20-29)31(21-25-13-5-1-6-14-25)30(26)23-33(32)45(37,38)42-28-17-9-3-10-18-28/h1-23H,24H2/b31-21+