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

Systemtic Name: [2-[3-methoxy-5-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] octanoate Openeye Name: [2-[3-methoxy-5-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] octanoate CAS Name: octanoic acid [2-[3-methoxy-5-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[3-methoxy-5-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxocyclohexen-1-yl] octanoate Traditional Name: caprylic acid [3-keto-2-[3-methoxy-5-(trifluoromethyl)phenyl]-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C24H31F3O4 MolecularWeight: 440.49575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=CC(=C2)OC)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=CC(=C2)OC)C(F)(F)F

InChI

InChI=1S/C24H31F3O4/c1-5-6-7-8-9-10-21(29)31-20-15-23(2,3)14-19(28)22(20)16-11-17(24(25,26)27)13-18(12-16)30-4/h11-13H,5-10,14-15H2,1-4H3