[2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylhexanoate Openeye Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-(3,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C24H34O3 MolecularWeight: 370.52496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34O3/c1-7-9-10-18(8-2)23(26)27-21-15-24(5,6)14-20(25)22(21)19-12-11-16(3)17(4)13-19/h11-13,18H,7-10,14-15H2,1-6H3