3,3,5-trimethyl-5-(phenylcarbonyl)cyclohexan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(C1)(C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)CC(C1)(C)C(=O)C2=CC=CC=C2)C

InChI

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