[3,5-bis(trifluoromethyl)phenyl]methyl 4-oxidanylidene-1-phenyl-cyclohexane-1-carboxylate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 4-oxidanylidene-1-phenyl-cyclohexane-1-carboxylate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 4-oxo-1-phenyl-cyclohexanecarboxylate CAS Name: 4-oxo-1-phenyl-1-cyclohexanecarboxylic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 4-oxo-1-phenylcyclohexane-1-carboxylate Traditional Name: 4-keto-1-phenyl-cyclohexanecarboxylic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C22H18F6O3 MolecularWeight: 444.366939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(C2=CC=CC=C2)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC(CCC1=O)(C2=CC=CC=C2)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

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