2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylcyclohexane-1,3-dione; cyclohexane-1,2-dione

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylcyclohexane-1,3-dione; cyclohexane-1,2-dione Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)cyclohexane-1,3-dione; cyclohexane-1,2-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione; cyclohexane-1,2-dione IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione; cyclohexane-1,2-dione Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)cyclohexane-1,3-quinone; cyclohexane-1,2-quinone Formula: C20H21ClO7S MolecularWeight: 440.89454

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl.C1CCC(=O)C(=O)C1

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl.C1CCC(=O)C(=O)C1

InChI

InChI=1S/C14H13ClO5S.C6H8O2/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17;7-5-3-1-2-4-6(5)8/h5-7,13H,2-4H2,1H3;1-4H2