4-chloranyl-2-ethanoyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 4-chloranyl-2-ethanoyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-acetyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-acetyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C10H13ClO3 MolecularWeight: 216.66142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)CC(C(C1=O)Cl)(C)C

Isomeric SMILES

CC(=O)C1C(=O)CC(C(C1=O)Cl)(C)C

InChI

InChI=1S/C10H13ClO3/c1-5(12)7-6(13)4-10(2,3)9(11)8(7)14/h7,9H,4H2,1-3H3