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

Systemtic Name: phenyl (3E)-6-(2-hydroxyphenyl)-5-methoxy-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-(2-hydroxyphenyl)-6-methoxy-isoindoline-2-sulfonate CAS Name: (3E)-6-(2-hydroxyphenyl)-5-methoxy-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-(2-hydroxyphenyl)-5-methoxy-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-(2-hydroxyphenyl)-6-methoxy-isoindoline-2-sulfonic acid phenyl ester Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C=C1C5=CC=CC=C5O

Isomeric SMILES

COC1=CC\2=C(CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C=C1C5=CC=CC=C5O

InChI

InChI=1S/C28H23NO5S/c1-33-28-18-24-21(17-25(28)23-14-8-9-15-27(23)30)19-29(26(24)16-20-10-4-2-5-11-20)35(31,32)34-22-12-6-3-7-13-22/h2-18,30H,19H2,1H3/b26-16+