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

Systemtic Name: 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4,4-dimethyl-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-(2-chloro-4-methylsulfonyl-benzoyl)-4,4-dimethyl-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-4,4-dimethyl-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)-4,4-dimethyl-5-phenylcyclohexane-1,3-dione Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-4,4-dimethyl-5-phenyl-cyclohexane-1,3-quinone Formula: C22H21ClO5S MolecularWeight: 432.91714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(CC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21ClO5S/c1-22(2)16(13-7-5-4-6-8-13)12-18(24)19(21(22)26)20(25)15-10-9-14(11-17(15)23)29(3,27)28/h4-11,16,19H,12H2,1-3H3