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

Systemtic Name: 2-(4-methylsulfonylphenyl)carbonyl-2-nitro-cyclohexane-1,3-dione Openeye Name: 2-(4-methylsulfonylbenzoyl)-2-nitro-cyclohexane-1,3-dione CAS Name: 2-[(4-methylsulfonylphenyl)-oxomethyl]-2-nitrocyclohexane-1,3-dione IUPAC Name: 2-(4-methylsulfonylbenzoyl)-2-nitrocyclohexane-1,3-dione Traditional Name: 2-(4-mesylbenzoyl)-2-nitro-cyclohexane-1,3-quinone Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2(C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2(C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S/c1-23(21,22)10-7-5-9(6-8-10)13(18)14(15(19)20)11(16)3-2-4-12(14)17/h5-8H,2-4H2,1H3