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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCON\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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