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

Systemtic Name: [2-[4-chloranyl-3-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] hexadecanoate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl] hexadecanoate CAS Name: hexadecanoic acid [2-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-3-oxocyclohexen-1-yl] hexadecanoate Traditional Name: palmitic acid [2-[4-chloro-3-(trifluoromethyl)phenyl]-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C31H44ClF3O3 MolecularWeight: 557.12747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C31H44ClF3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(37)38-27-22-30(2,3)21-26(36)29(27)23-18-19-25(32)24(20-23)31(33,34)35/h18-20H,4-17,21-22H2,1-3H3