(3-methanoyl-2,4,4-trimethyl-cyclohex-2-en-1-yl) 3-oxidanylidenebutanoate

Systemtic Name: (3-methanoyl-2,4,4-trimethyl-cyclohex-2-en-1-yl) 3-oxidanylidenebutanoate Openeye Name: (3-formyl-2,4,4-trimethyl-cyclohex-2-en-1-yl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid (3-formyl-2,4,4-trimethyl-1-cyclohex-2-enyl) ester IUPAC Name: (3-formyl-2,4,4-trimethylcyclohex-2-en-1-yl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid (3-formyl-2,4,4-trimethyl-cyclohex-2-en-1-yl) ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1OC(=O)CC(=O)C)(C)C)C=O

Isomeric SMILES

CC1=C(C(CCC1OC(=O)CC(=O)C)(C)C)C=O

InChI

InChI=1S/C14H20O4/c1-9(16)7-13(17)18-12-5-6-14(3,4)11(8-15)10(12)2/h8,12H,5-7H2,1-4H3