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

Systemtic Name: phenyl (3Z)-2-ethoxy-6-(2-hydroxyphenyl)-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-2-ethoxy-6-(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (3Z)-2-ethoxy-6-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-2-ethoxy-6-(2-hydroxyphenyl)-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2-ethoxy-6-(2-hydroxyphenyl)isoindoline-5-sulfonic acid phenyl ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCON\1CC2=C(/C1=C/C3=CC=CC=C3)C=C(C(=C2)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H25NO5S/c1-2-34-30-20-22-18-26(24-15-9-10-16-28(24)31)29(36(32,33)35-23-13-7-4-8-14-23)19-25(22)27(30)17-21-11-5-3-6-12-21/h3-19,31H,2,20H2,1H3/b27-17-