(5S,6S)-5-ethanoyl-2,2-dimethyl-6-(2-oxidanylidenepropyl)cyclohexan-1-one

Systemtic Name: (5S,6S)-5-ethanoyl-2,2-dimethyl-6-(2-oxidanylidenepropyl)cyclohexan-1-one Openeye Name: (5S,6S)-6-acetonyl-5-acetyl-2,2-dimethyl-cyclohexanone CAS Name: (5S,6S)-5-acetyl-2,2-dimethyl-6-(2-oxopropyl)-1-cyclohexanone IUPAC Name: (5S,6S)-5-acetyl-2,2-dimethyl-6-(2-oxopropyl)cyclohexan-1-one Traditional Name: (5S,6S)-6-acetonyl-5-acetyl-2,2-dimethyl-cyclohexanone Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(CCC(C1=O)(C)C)C(=O)C

Isomeric SMILES

CC(=O)C[C@H]1[C@H](CCC(C1=O)(C)C)C(=O)C

InChI

InChI=1S/C13H20O3/c1-8(14)7-11-10(9(2)15)5-6-13(3,4)12(11)16/h10-11H,5-7H2,1-4H3/t10-,11+/m1/s1