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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1C4=CC=CC=C4O)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1C4=CC=CC=C4O)CC5=CC=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

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