2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-4,4-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-4,4-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-4,4-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-4,4-dimethyl-cyclohexane-1,3-quinone Formula: C16H17ClO5S MolecularWeight: 356.82118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1(CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C16H17ClO5S/c1-16(2)7-6-12(18)13(15(16)20)14(19)10-5-4-9(8-11(10)17)23(3,21)22/h4-5,8,13H,6-7H2,1-3H3