[2-(4-fluorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] nonanoate

Systemtic Name: [2-(4-fluorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] nonanoate Openeye Name: [2-(4-fluorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] nonanoate CAS Name: nonanoic acid [2-(4-fluorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(4-fluorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] nonanoate Traditional Name: pelargonic acid [2-(4-fluorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H31FO3 MolecularWeight: 374.488843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCCC(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C23H31FO3/c1-4-5-6-7-8-9-10-21(26)27-20-16-23(2,3)15-19(25)22(20)17-11-13-18(24)14-12-17/h11-14H,4-10,15-16H2,1-3H3