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

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-methylbenzoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=O)CC(C2)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=O)CC(C2)(C)C

InChI

InChI=1S/C16H18O3/c1-11-4-6-12(7-5-11)15(18)19-14-8-13(17)9-16(2,3)10-14/h4-8H,9-10H2,1-3H3