[2-(3-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate

Systemtic Name: [2-(3-chlorophenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [2-(3-chlorophenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(3-chlorophenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3-chlorophenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(3-chlorophenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C22H29ClO3 MolecularWeight: 376.91686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H29ClO3/c1-5-7-9-15(6-2)21(25)26-19-14-22(3,4)13-18(24)20(19)16-10-8-11-17(23)12-16/h8,10-12,15H,5-7,9,13-14H2,1-4H3