2-(4-methylsulfinyl-2,6-dinitro-phenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-methylsulfinyl-2,6-dinitro-phenyl)sulfonylethanoic acid Openeye Name: 2-(4-methylsulfinyl-2,6-dinitro-phenyl)sulfonylacetic acid CAS Name: 2-(4-methylsulfinyl-2,6-dinitrophenyl)sulfonylacetic acid IUPAC Name: 2-(4-methylsulfinyl-2,6-dinitrophenyl)sulfonylacetic acid Traditional Name: 2-(4-methylsulfinyl-2,6-dinitro-phenyl)sulfonylacetic acid Formula: C9H8N2O9S2 MolecularWeight: 352.29782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O9S2/c1-21(18)5-2-6(10(14)15)9(7(3-5)11(16)17)22(19,20)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)