4,4,6-trimethyl-2-(2-methylsulfonylphenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 4,4,6-trimethyl-2-(2-methylsulfonylphenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 4,4,6-trimethyl-2-(2-methylsulfonylbenzoyl)cyclohexane-1,3-dione CAS Name: 4,4,6-trimethyl-2-[(2-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4,4,6-trimethyl-2-(2-methylsulfonylbenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(2-mesylbenzoyl)-4,4,6-trimethyl-cyclohexane-1,3-quinone Formula: C17H20O5S MolecularWeight: 336.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1=O)C(=O)C2=CC=CC=C2S(=O)(=O)C)(C)C

Isomeric SMILES

CC1CC(C(=O)C(C1=O)C(=O)C2=CC=CC=C2S(=O)(=O)C)(C)C

InChI

InChI=1S/C17H20O5S/c1-10-9-17(2,3)16(20)13(14(10)18)15(19)11-7-5-6-8-12(11)23(4,21)22/h5-8,10,13H,9H2,1-4H3