[(2R)-1-oxidanylidene-1-[3-(trifluoromethyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-1-oxidanylidene-1-[3-(trifluoromethyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[3-(trifluoromethyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C17H15F3O4S MolecularWeight: 372.35881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3O4S/c1-11-6-8-15(9-7-11)25(22,23)24-12(2)16(21)13-4-3-5-14(10-13)17(18,19)20/h3-10,12H,1-2H3/t12-/m1/s1