5-[chloranyl(phenyl)methyl]-2,2,4-trimethyl-cyclohexan-1-one

Systemtic Name: 5-[chloranyl(phenyl)methyl]-2,2,4-trimethyl-cyclohexan-1-one Openeye Name: 5-[chloro(phenyl)methyl]-2,2,4-trimethyl-cyclohexanone CAS Name: 5-[chloro(phenyl)methyl]-2,2,4-trimethyl-1-cyclohexanone IUPAC Name: 5-[chloro(phenyl)methyl]-2,2,4-trimethylcyclohexan-1-one Traditional Name: 5-[chloro(phenyl)methyl]-2,2,4-trimethyl-cyclohexanone Formula: C16H21ClO MolecularWeight: 264.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)CC1C(C2=CC=CC=C2)Cl)(C)C

Isomeric SMILES

CC1CC(C(=O)CC1C(C2=CC=CC=C2)Cl)(C)C

InChI

InChI=1S/C16H21ClO/c1-11-10-16(2,3)14(18)9-13(11)15(17)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3