(3,6,6-trimethylcyclohex-2-en-1-yl)methyl 3-oxidanylidenebutanoate

Systemtic Name: (3,6,6-trimethylcyclohex-2-en-1-yl)methyl 3-oxidanylidenebutanoate Openeye Name: (3,6,6-trimethylcyclohex-2-en-1-yl)methyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid (3,6,6-trimethyl-1-cyclohex-2-enyl)methyl ester IUPAC Name: (3,6,6-trimethylcyclohex-2-en-1-yl)methyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (3,6,6-trimethylcyclohex-2-en-1-yl)methyl ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1)(C)C)COC(=O)CC(=O)C

Isomeric SMILES

CC1=CC(C(CC1)(C)C)COC(=O)CC(=O)C

InChI

InChI=1S/C14H22O3/c1-10-5-6-14(3,4)12(7-10)9-17-13(16)8-11(2)15/h7,12H,5-6,8-9H2,1-4H3