2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H17ClO5S MolecularWeight: 356.82118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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