[(1R,3R,4S)-3,4-dimethyl-5-oxidanylidene-4-(2-oxidanylidenepropyl)cyclohexyl] ethanoate

Systemtic Name: [(1R,3R,4S)-3,4-dimethyl-5-oxidanylidene-4-(2-oxidanylidenepropyl)cyclohexyl] ethanoate Openeye Name: [(1R,3R,4S)-4-acetonyl-3,4-dimethyl-5-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1R,3R,4S)-3,4-dimethyl-5-oxo-4-(2-oxopropyl)cyclohexyl] ester IUPAC Name: [(1R,3R,4S)-3,4-dimethyl-5-oxo-4-(2-oxopropyl)cyclohexyl] acetate Traditional Name: acetic acid [(1R,4S,5R)-4-acetonyl-3-keto-4,5-dimethyl-cyclohexyl] ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=O)C1(C)CC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H]1C[C@H](CC(=O)[C@@]1(C)CC(=O)C)OC(=O)C

InChI

InChI=1S/C13H20O4/c1-8-5-11(17-10(3)15)6-12(16)13(8,4)7-9(2)14/h8,11H,5-7H2,1-4H3/t8-,11-,13+/m1/s1