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

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-2-phenyl-cyclohexen-1-yl) hexanoate Openeye Name: (5,5-dimethyl-3-oxo-2-phenyl-cyclohexen-1-yl) hexanoate CAS Name: hexanoic acid (5,5-dimethyl-3-oxo-2-phenyl-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxo-2-phenylcyclohexen-1-yl) hexanoate Traditional Name: hexanoic acid (3-keto-5,5-dimethyl-2-phenyl-cyclohexen-1-yl) ester Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O3/c1-4-5-7-12-18(22)23-17-14-20(2,3)13-16(21)19(17)15-10-8-6-9-11-15/h6,8-11H,4-5,7,12-14H2,1-3H3