(2R,3S)-3,5,5-trimethyl-2-(phenylcarbonyl)cyclohexan-1-one

Systemtic Name: (2R,3S)-3,5,5-trimethyl-2-(phenylcarbonyl)cyclohexan-1-one Openeye Name: (2R,3S)-2-benzoyl-3,5,5-trimethyl-cyclohexanone CAS Name: (2R,3S)-2-benzoyl-3,5,5-trimethyl-1-cyclohexanone IUPAC Name: (2R,3S)-2-benzoyl-3,5,5-trimethylcyclohexan-1-one Traditional Name: (2R,3S)-2-benzoyl-3,5,5-trimethyl-cyclohexanone Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=O)C1C(=O)C2=CC=CC=C2)(C)C

Isomeric SMILES

C[C@H]1CC(CC(=O)[C@@H]1C(=O)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C16H20O2/c1-11-9-16(2,3)10-13(17)14(11)15(18)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11-,14+/m0/s1