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

Systemtic Name: phenyl (3E)-6-(2-hydroxyphenyl)-5-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-6-benzyl-1-benzylidene-5-(2-hydroxyphenyl)isoindoline-2-sulfonate CAS Name: (3E)-6-(2-hydroxyphenyl)-5-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-5-benzyl-3-benzylidene-6-(2-hydroxyphenyl)-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-benzyl-5-(2-hydroxyphenyl)isoindoline-2-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)C3=CC=CC=C3O)CC4=CC=CC=C4)C(=CC5=CC=CC=C5)N1S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)CC4=CC=CC=C4)/C(=C\C5=CC=CC=C5)/N1S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C34H27NO4S/c36-34-19-11-10-18-30(34)31-23-28-24-35(40(37,38)39-29-16-8-3-9-17-29)33(21-26-14-6-2-7-15-26)32(28)22-27(31)20-25-12-4-1-5-13-25/h1-19,21-23,36H,20,24H2/b33-21+