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

Systemtic Name: phenyl (3E)-6-(2-hydroxyphenyl)-5-oxidanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-hydroxy-5-(2-hydroxyphenyl)isoindoline-2-sulfonate CAS Name: (3E)-5-hydroxy-6-(2-hydroxyphenyl)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5-hydroxy-6-(2-hydroxyphenyl)-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-hydroxy-5-(2-hydroxyphenyl)isoindoline-2-sulfonic acid phenyl ester Formula: C27H21NO5S MolecularWeight: 471.52434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)O)C(=CC4=CC=CC=C4)N1S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C2=C(C=C(C(=C2)C3=CC=CC=C3O)O)/C(=C\C4=CC=CC=C4)/N1S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H21NO5S/c29-26-14-8-7-13-22(26)24-16-20-18-28(34(31,32)33-21-11-5-2-6-12-21)25(23(20)17-27(24)30)15-19-9-3-1-4-10-19/h1-17,29-30H,18H2/b25-15+