(2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) 4-cyanobenzenesulfonate

Systemtic Name: (2-oxidanyl-3-oxidanylidene-2,3-diphenyl-propyl) 4-cyanobenzenesulfonate Openeye Name: (2-hydroxy-3-oxo-2,3-diphenyl-propyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (2-hydroxy-3-oxo-2,3-diphenylpropyl) ester IUPAC Name: (2-hydroxy-3-oxo-2,3-diphenylpropyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (2-hydroxy-3-keto-2,3-diphenyl-propyl) ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(COS(=O)(=O)C2=CC=C(C=C2)C#N)(C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(COS(=O)(=O)C2=CC=C(C=C2)C#N)(C3=CC=CC=C3)O

InChI

InChI=1S/C22H17NO5S/c23-15-17-11-13-20(14-12-17)29(26,27)28-16-22(25,19-9-5-2-6-10-19)21(24)18-7-3-1-4-8-18/h1-14,25H,16H2