2-(4-methylsulfonyl-2-nitro-phenyl)-1-oxidanyl-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)-1-oxidanyl-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-hydroxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3-oxo-propane-1-sulfonic acid CAS Name: 1-hydroxy-2-(4-methylsulfonyl-2-nitrophenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: 1-hydroxy-2-(4-methylsulfonyl-2-nitrophenyl)-3-oxopropane-1-sulfonic acid Traditional Name: 1-hydroxy-3-keto-2-(4-mesyl-2-nitro-phenyl)propane-1-sulfonic acid Formula: C10H11NO9S2 MolecularWeight: 353.32564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO9S2/c1-21(16,17)6-2-3-7(9(4-6)11(14)15)8(5-12)10(13)22(18,19)20/h2-5,8,10,13H,1H3,(H,18,19,20)