2-(4-methylsulfonyl-2-nitro-phenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfonylethanoic acid Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfonylacetic acid CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetic acid IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetic acid Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfonylacetic acid Formula: C9H9NO8S2 MolecularWeight: 323.29966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO8S2/c1-19(15,16)6-2-3-8(7(4-6)10(13)14)20(17,18)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)