2-methylsulfonyl-2-(4-nitrophenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 2-methylsulfonyl-2-(4-nitrophenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 2-methylsulfonyl-2-(4-nitrobenzoyl)cyclohexane-1,3-dione CAS Name: 2-methylsulfonyl-2-[(4-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-methylsulfonyl-2-(4-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-mesyl-2-(4-nitrobenzoyl)cyclohexane-1,3-quinone Formula: C14H13NO7S MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1(C(=O)CCCC1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1(C(=O)CCCC1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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