(3-oxidanyl-1-oxidanylidene-1,2-diphenyl-propan-2-yl) 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (3-oxidanyl-1-oxidanylidene-1,2-diphenyl-propan-2-yl) 2-(trifluoromethyl)benzenesulfonate Openeye Name: [1-(hydroxymethyl)-2-oxo-1,2-diphenyl-ethyl] 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic acid (3-hydroxy-1-oxo-1,2-diphenylpropan-2-yl) ester IUPAC Name: (3-hydroxy-1-oxo-1,2-diphenylpropan-2-yl) 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid (2-keto-1-methylol-1,2-diphenyl-ethyl) ester Formula: C22H17F3O5S MolecularWeight: 450.42759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CO)(C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CO)(C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H17F3O5S/c23-22(24,25)18-13-7-8-14-19(18)31(28,29)30-21(15-26,17-11-5-2-6-12-17)20(27)16-9-3-1-4-10-16/h1-14,26H,15H2