2-(2-methylsulfonylphenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 2-(2-methylsulfonylphenyl)carbonylcyclohexane-1,3-dione Openeye Name: 2-(2-methylsulfonylbenzoyl)cyclohexane-1,3-dione CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(2-methylsulfonylbenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(2-mesylbenzoyl)cyclohexane-1,3-quinone Formula: C14H14O5S MolecularWeight: 294.32296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)C2C(=O)CCCC2=O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)C2C(=O)CCCC2=O

InChI

InChI=1S/C14H14O5S/c1-20(18,19)12-8-3-2-5-9(12)14(17)13-10(15)6-4-7-11(13)16/h2-3,5,8,13H,4,6-7H2,1H3