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

Systemtic Name: phenyl (3E)-2,6-bis(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-2,6-dibenzyl-3-benzylidene-isoindoline-5-sulfonate CAS Name: (3E)-2,6-bis(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-2,6-dibenzyl-3-benzylidene-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2,6-dibenzyl-isoindoline-5-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)N1CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5)CC6=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)CC6=CC=CC=C6

InChI

InChI=1S/C35H29NO3S/c37-40(38,39-32-19-11-4-12-20-32)35-24-33-31(23-30(35)21-27-13-5-1-6-14-27)26-36(25-29-17-9-3-10-18-29)34(33)22-28-15-7-2-8-16-28/h1-20,22-24H,21,25-26H2/b34-22+