phenyl (3Z)-6-ethoxy-2-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate

Systemtic Name: phenyl (3Z)-6-ethoxy-2-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-2-benzyl-3-benzylidene-6-ethoxy-isoindoline-5-sulfonate CAS Name: (3Z)-6-ethoxy-2-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-2-benzyl-3-benzylidene-6-ethoxy-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2-benzyl-6-ethoxy-isoindoline-5-sulfonic acid phenyl ester Formula: C30H27NO4S MolecularWeight: 497.60468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H27NO4S/c1-2-34-29-19-25-22-31(21-24-14-8-4-9-15-24)28(18-23-12-6-3-7-13-23)27(25)20-30(29)36(32,33)35-26-16-10-5-11-17-26/h3-20H,2,21-22H2,1H3/b28-18-