2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4,6-trimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4,6-trimethyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-4,4,6-trimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-4,4,6-trimethylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-4,4,6-trimethylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-4,4,6-trimethyl-cyclohexane-1,3-quinone Formula: C17H19ClO5S MolecularWeight: 370.84776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)(C)C

Isomeric SMILES

CC1CC(C(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)(C)C

InChI

InChI=1S/C17H19ClO5S/c1-9-8-17(2,3)16(21)13(14(9)19)15(20)11-6-5-10(7-12(11)18)24(4,22)23/h5-7,9,13H,8H2,1-4H3