(2S,3R,5R)-5-ethanoyl-2,3-dimethyl-2-(2-oxidanylidenepropyl)cyclohexan-1-one

Systemtic Name: (2S,3R,5R)-5-ethanoyl-2,3-dimethyl-2-(2-oxidanylidenepropyl)cyclohexan-1-one Openeye Name: (2S,3R,5R)-2-acetonyl-5-acetyl-2,3-dimethyl-cyclohexanone CAS Name: (2S,3R,5R)-5-acetyl-2,3-dimethyl-2-(2-oxopropyl)-1-cyclohexanone IUPAC Name: (2S,3R,5R)-5-acetyl-2,3-dimethyl-2-(2-oxopropyl)cyclohexan-1-one Traditional Name: (2S,3R,5R)-2-acetonyl-5-acetyl-2,3-dimethyl-cyclohexanone Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-8-5-11(10(3)15)6-12(16)13(8,4)7-9(2)14/h8,11H,5-7H2,1-4H3/t8-,11-,13+/m1/s1