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

Systemtic Name: phenyl (1E)-6-(2-hydroxyphenyl)-2-(phenylmethyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-2-benzyl-1-benzylidene-6-(2-hydroxyphenyl)isoindoline-5-sulfonate CAS Name: (1E)-6-(2-hydroxyphenyl)-2-(phenylmethyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-2-benzyl-1-benzylidene-6-(2-hydroxyphenyl)-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-benzyl-6-(2-hydroxyphenyl)isoindoline-5-sulfonic acid phenyl ester Formula: C34H27NO4S MolecularWeight: 545.64748

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)C(=CC5=CC=CC=C5)N1CC6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=C(C(=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)/C(=C\C5=CC=CC=C5)/N1CC6=CC=CC=C6

InChI

InChI=1S/C34H27NO4S/c36-33-19-11-10-18-29(33)31-22-30-27(21-34(31)40(37,38)39-28-16-8-3-9-17-28)24-35(23-26-14-6-2-7-15-26)32(30)20-25-12-4-1-5-13-25/h1-22,36H,23-24H2/b32-20+