5,5-dimethyl-2-(phenylsulfonylmethyl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(phenylsulfonylmethyl)cyclohexane-1,3-dione Openeye Name: 2-(benzenesulfonylmethyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(benzenesulfonylmethyl)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(benzenesulfonylmethyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(besylmethyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C15H18O4S/c1-15(2)8-13(16)12(14(17)9-15)10-20(18,19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3