(2,2-dimethyl-6-methylidene-5-oxidanylidene-cyclohex-3-en-1-yl) butanoate

Systemtic Name: (2,2-dimethyl-6-methylidene-5-oxidanylidene-cyclohex-3-en-1-yl) butanoate Openeye Name: (2,2-dimethyl-6-methylene-5-oxo-cyclohex-3-en-1-yl) butanoate CAS Name: butanoic acid (2,2-dimethyl-6-methylene-5-oxo-1-cyclohex-3-enyl) ester IUPAC Name: (2,2-dimethyl-6-methylidene-5-oxocyclohex-3-en-1-yl) butanoate Traditional Name: butyric acid (5-keto-2,2-dimethyl-6-methylene-cyclohex-3-en-1-yl) ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(=C)C(=O)C=CC1(C)C

Isomeric SMILES

CCCC(=O)OC1C(=C)C(=O)C=CC1(C)C

InChI

InChI=1S/C13H18O3/c1-5-6-11(15)16-12-9(2)10(14)7-8-13(12,3)4/h7-8,12H,2,5-6H2,1,3-4H3