(3,3-dimethyl-5-methylidene-6-oxidanylidene-cyclohexen-1-yl) butanoate

Systemtic Name: (3,3-dimethyl-5-methylidene-6-oxidanylidene-cyclohexen-1-yl) butanoate Openeye Name: (3,3-dimethyl-5-methylene-6-oxo-cyclohexen-1-yl) butanoate CAS Name: butanoic acid (3,3-dimethyl-5-methylene-6-oxo-1-cyclohexenyl) ester IUPAC Name: (3,3-dimethyl-5-methylidene-6-oxocyclohexen-1-yl) butanoate Traditional Name: butyric acid (6-keto-3,3-dimethyl-5-methylene-cyclohexen-1-yl) ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-5-6-11(14)16-10-8-13(3,4)7-9(2)12(10)15/h8H,2,5-7H2,1,3-4H3