(4-oxidanylidene-1-phenyl-cyclohexyl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (4-oxidanylidene-1-phenyl-cyclohexyl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (4-oxo-1-phenyl-cyclohexyl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (4-oxo-1-phenylcyclohexyl)methyl ester IUPAC Name: (4-oxo-1-phenylcyclohexyl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (4-keto-1-phenyl-cyclohexyl)methyl ester Formula: C22H18F6O3 MolecularWeight: 444.366939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1=O)(COC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H18F6O3/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)19(30)31-13-20(8-6-18(29)7-9-20)15-4-2-1-3-5-15/h1-5,10-12H,6-9,13H2