[2-[3-methoxy-4-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethyloctanoate

Systemtic Name: [2-[3-methoxy-4-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,2-dimethyloctanoate Openeye Name: [2-[3-methoxy-4-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2,2-dimethyloctanoate CAS Name: 2,2-dimethyloctanoic acid [2-[3-methoxy-4-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[3-methoxy-4-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxocyclohexen-1-yl] 2,2-dimethyloctanoate Traditional Name: 2,2-dimethylcaprylic acid [3-keto-2-[3-methoxy-4-(trifluoromethyl)phenyl]-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C26H35F3O4 MolecularWeight: 468.54891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35F3O4/c1-7-8-9-10-13-25(4,5)23(31)33-21-16-24(2,3)15-19(30)22(21)17-11-12-18(26(27,28)29)20(14-17)32-6/h11-12,14H,7-10,13,15-16H2,1-6H3