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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO5S/c1-33-27-18-23-21(17-28(27)35(31,32)34-22-12-6-3-7-13-22)19-29(24-14-8-9-15-26(24)30)25(23)16-20-10-4-2-5-11-20/h2-18,30H,19H2,1H3/b25-16+