(2-chloranyl-3-oxidanylidene-cyclohexen-1-yl) 3-(trifluoromethyl)benzoate

Systemtic Name: (2-chloranyl-3-oxidanylidene-cyclohexen-1-yl) 3-(trifluoromethyl)benzoate Openeye Name: (2-chloro-3-oxo-cyclohexen-1-yl) 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid (2-chloro-3-oxo-1-cyclohexenyl) ester IUPAC Name: (2-chloro-3-oxocyclohexen-1-yl) 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (2-chloro-3-keto-cyclohexen-1-yl) ester Formula: C14H10ClF3O3 MolecularWeight: 318.67561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)Cl)OC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CC(=C(C(=O)C1)Cl)OC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H10ClF3O3/c15-12-10(19)5-2-6-11(12)21-13(20)8-3-1-4-9(7-8)14(16,17)18/h1,3-4,7H,2,5-6H2