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

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

Click to see the large picture

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