(5,5-dimethyl-3-oxidanylidene-2-phenyl-cyclohexen-1-yl) 2-ethylhexanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-2-phenyl-cyclohexen-1-yl) 2-ethylhexanoate Openeye Name: (5,5-dimethyl-3-oxo-2-phenyl-cyclohexen-1-yl) 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid (5,5-dimethyl-3-oxo-2-phenyl-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxo-2-phenylcyclohexen-1-yl) 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid (3-keto-5,5-dimethyl-2-phenyl-cyclohexen-1-yl) ester Formula: C22H30O3 MolecularWeight: 342.4718

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O3/c1-5-7-11-16(6-2)21(24)25-19-15-22(3,4)14-18(23)20(19)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3