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

Systemtic Name: phenyl (1E)-2-ethoxy-6-(2-hydroxyphenyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-2-ethoxy-6-(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (1E)-2-ethoxy-6-(2-hydroxyphenyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-2-ethoxy-6-(2-hydroxyphenyl)-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-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)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

CCON\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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