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

Systemtic Name: phenyl (3E)-5-(2-hydroxyphenyl)-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-5-benzyl-1-benzylidene-6-(2-hydroxyphenyl)isoindoline-2-sulfonate CAS Name: (3E)-5-(2-hydroxyphenyl)-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-6-benzyl-3-benzylidene-5-(2-hydroxyphenyl)-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-benzyl-6-(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)CC3=CC=CC=C3)C4=CC=CC=C4O)C(=CC5=CC=CC=C5)N1S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=C(C=C(C(=C2)CC3=CC=CC=C3)C4=CC=CC=C4O)/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)31-23-32-28(22-27(31)20-25-12-4-1-5-13-25)24-35(33(32)21-26-14-6-2-7-15-26)40(37,38)39-29-16-8-3-9-17-29/h1-19,21-23,36H,20,24H2/b33-21+