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

Systemtic Name: phenyl (3E)-6-ethoxy-5-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-6-benzyl-1-benzylidene-5-ethoxy-isoindoline-2-sulfonate CAS Name: (3E)-6-ethoxy-5-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-5-benzyl-3-benzylidene-6-ethoxy-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-benzyl-5-ethoxy-isoindoline-2-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)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H27NO4S/c1-2-34-30-21-26-22-31(36(32,33)35-27-16-10-5-11-17-27)29(19-24-14-8-4-9-15-24)28(26)20-25(30)18-23-12-6-3-7-13-23/h3-17,19-21H,2,18,22H2,1H3/b29-19+