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

Systemtic Name: [1-oxidanylidene-1-[4-(trifluoromethyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-methyl-2-[4-(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=C(C=C2)C(F)(F)F

Isomeric SMILES

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

InChI

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