phenyl (3E)-5,6-bis(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate

Systemtic Name: phenyl (3E)-5,6-bis(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-5,6-dibenzyl-1-benzylidene-isoindoline-2-sulfonate CAS Name: (3E)-5,6-bis(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-5,6-dibenzyl-3-benzylidene-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5,6-dibenzyl-isoindoline-2-sulfonic acid phenyl ester Formula: C35H29NO3S MolecularWeight: 543.67466

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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)CC6=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)CC6=CC=CC=C6

InChI

InChI=1S/C35H29NO3S/c37-40(38,39-33-19-11-4-12-20-33)36-26-32-24-30(21-27-13-5-1-6-14-27)31(22-28-15-7-2-8-16-28)25-34(32)35(36)23-29-17-9-3-10-18-29/h1-20,23-25H,21-22,26H2/b35-23+