4-methylsulfonyl-2-nitro-2-(phenylcarbonyl)cyclohexane-1,3-dione

Systemtic Name: 4-methylsulfonyl-2-nitro-2-(phenylcarbonyl)cyclohexane-1,3-dione Openeye Name: 2-benzoyl-4-methylsulfonyl-2-nitro-cyclohexane-1,3-dione CAS Name: 2-benzoyl-4-methylsulfonyl-2-nitrocyclohexane-1,3-dione IUPAC Name: 2-benzoyl-4-methylsulfonyl-2-nitrocyclohexane-1,3-dione Traditional Name: 2-benzoyl-4-mesyl-2-nitro-cyclohexane-1,3-quinone Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCC(=O)C(C1=O)(C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1CCC(=O)C(C1=O)(C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S/c1-23(21,22)10-7-8-11(16)14(13(10)18,15(19)20)12(17)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3