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

Systemtic Name: phenyl (3E)-5-oxidanyl-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-5-benzyl-1-benzylidene-6-hydroxy-isoindoline-2-sulfonate CAS Name: (3E)-5-hydroxy-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-6-benzyl-3-benzylidene-5-hydroxy-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-benzyl-6-hydroxy-isoindoline-2-sulfonic acid phenyl ester Formula: C28H23NO4S MolecularWeight: 469.55152

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=CC3=CC=CC=C3)N1S(=O)(=O)OC4=CC=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C1C2=CC(=C(C=C2/C(=C\C3=CC=CC=C3)/N1S(=O)(=O)OC4=CC=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C28H23NO4S/c30-28-19-26-24(18-23(28)16-21-10-4-1-5-11-21)20-29(27(26)17-22-12-6-2-7-13-22)34(31,32)33-25-14-8-3-9-15-25/h1-15,17-19,30H,16,20H2/b27-17+