methyl 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-methyl-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-methyl-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-oxo-cyclohexanecarboxylate CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-oxocyclohexane-1-carboxylate Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-3-methyl-cyclohexanecarboxylic acid methyl ester Formula: C16H16ClF3O3 MolecularWeight: 348.74465

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCC1=O)C(=O)OC)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CC1(CC(CCC1=O)C(=O)OC)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H16ClF3O3/c1-15(8-9(14(22)23-2)3-6-13(15)21)10-4-5-12(17)11(7-10)16(18,19)20/h4-5,7,9H,3,6,8H2,1-2H3