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

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4-methylsulfanyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-4-methylsulfanyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-4-(methylthio)cyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-4-methylsulfanylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-4-(methylthio)cyclohexane-1,3-quinone Formula: C15H15ClO5S2 MolecularWeight: 374.8596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CSC1CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H15ClO5S2/c1-22-12-6-5-11(17)13(15(12)19)14(18)9-4-3-8(7-10(9)16)23(2,20)21/h3-4,7,12-13H,5-6H2,1-2H3