(5,5-dimethyl-3-oxidanylidene-4-phenyl-cyclohexen-1-yl) butanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-4-phenyl-cyclohexen-1-yl) butanoate Openeye Name: (5,5-dimethyl-3-oxo-4-phenyl-cyclohexen-1-yl) butanoate CAS Name: butanoic acid (5,5-dimethyl-3-oxo-4-phenyl-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxo-4-phenylcyclohexen-1-yl) butanoate Traditional Name: butyric acid (3-keto-5,5-dimethyl-4-phenyl-cyclohexen-1-yl) ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3/c1-4-8-16(20)21-14-11-15(19)17(18(2,3)12-14)13-9-6-5-7-10-13/h5-7,9-11,17H,4,8,12H2,1-3H3