(3,3-dimethyl-6-oxidanylidene-cyclohexen-1-yl) butanoate

Systemtic Name: (3,3-dimethyl-6-oxidanylidene-cyclohexen-1-yl) butanoate Openeye Name: (3,3-dimethyl-6-oxo-cyclohexen-1-yl) butanoate CAS Name: butanoic acid (3,3-dimethyl-6-oxo-1-cyclohexenyl) ester IUPAC Name: (3,3-dimethyl-6-oxocyclohexen-1-yl) butanoate Traditional Name: butyric acid (6-keto-3,3-dimethyl-cyclohexen-1-yl) ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(CCC1=O)(C)C

Isomeric SMILES

CCCC(=O)OC1=CC(CCC1=O)(C)C

InChI

InChI=1S/C12H18O3/c1-4-5-11(14)15-10-8-12(2,3)7-6-9(10)13/h8H,4-7H2,1-3H3