[5,5-dimethyl-3-oxidanylidene-2-(trifluoromethyl)cyclohexen-1-yl] octanoate

Systemtic Name: [5,5-dimethyl-3-oxidanylidene-2-(trifluoromethyl)cyclohexen-1-yl] octanoate Openeye Name: [5,5-dimethyl-3-oxo-2-(trifluoromethyl)cyclohexen-1-yl] octanoate CAS Name: octanoic acid [5,5-dimethyl-3-oxo-2-(trifluoromethyl)-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-3-oxo-2-(trifluoromethyl)cyclohexen-1-yl] octanoate Traditional Name: caprylic acid [3-keto-5,5-dimethyl-2-(trifluoromethyl)cyclohexen-1-yl] ester Formula: C17H25F3O3 MolecularWeight: 334.37381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C(F)(F)F

InChI

InChI=1S/C17H25F3O3/c1-4-5-6-7-8-9-14(22)23-13-11-16(2,3)10-12(21)15(13)17(18,19)20/h4-11H2,1-3H3