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

Systemtic Name: phenyl (1Z)-2-ethoxy-6-(phenylmethyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-6-benzyl-1-benzylidene-2-ethoxy-isoindoline-5-sulfonate CAS Name: (1Z)-2-ethoxy-6-(phenylmethyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-6-benzyl-1-benzylidene-2-ethoxy-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-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)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCON\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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