(2E)-4-methylsulfonyl-2-[(2-nitrophenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: (2E)-4-methylsulfonyl-2-[(2-nitrophenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: (2E)-2-[hydroxy-(2-nitrophenyl)methylene]-4-methylsulfonyl-cyclohexane-1,3-dione CAS Name: (2E)-2-[hydroxy-(2-nitrophenyl)methylidene]-4-methylsulfonylcyclohexane-1,3-dione IUPAC Name: (2E)-2-[hydroxy-(2-nitrophenyl)methylidene]-4-methylsulfonylcyclohexane-1,3-dione Traditional Name: (2E)-2-[hydroxy-(2-nitrophenyl)methylene]-4-mesyl-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(=C(C2=CC=CC=C2[N+](=O)[O-])O)C1=O

Isomeric SMILES

CS(=O)(=O)C1CCC(=O)/C(=C(/C2=CC=CC=C2[N+](=O)[O-])\O)/C1=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/h2-5,11,17H,6-7H2,1H3/b13-12+