(3-oxidanyl-1-oxidanylidene-1,2-diphenyl-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanyl-1-oxidanylidene-1,2-diphenyl-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-(hydroxymethyl)-2-oxo-1,2-diphenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-1-oxo-1,2-diphenylpropan-2-yl) ester IUPAC Name: (3-hydroxy-1-oxo-1,2-diphenylpropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1-methylol-1,2-diphenyl-ethyl) ester Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20O5S/c1-17-12-14-20(15-13-17)28(25,26)27-22(16-23,19-10-6-3-7-11-19)21(24)18-8-4-2-5-9-18/h2-15,23H,16H2,1H3