2-[2-(nitromethylsulfonyl)phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-(nitromethylsulfonyl)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-(nitromethylsulfonyl)benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-(nitromethylsulfonyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-(nitromethylsulfonyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-(nitromethylsulfonyl)benzoyl]cyclohexane-1,3-quinone Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(=O)C2=CC=CC=C2S(=O)(=O)C[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C(=O)C2=CC=CC=C2S(=O)(=O)C[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S/c16-10-5-3-6-11(17)13(10)14(18)9-4-1-2-7-12(9)23(21,22)8-15(19)20/h1-2,4,7,13H,3,5-6,8H2