3-(2-nitro-4-sulfamoyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-nitro-4-sulfamoyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-nitro-4-sulfamoyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-nitro-4-sulfamoylphenyl)thio]propanoic acid IUPAC Name: 3-(2-nitro-4-sulfamoylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-nitro-4-sulfamoyl-phenyl)thio]propionic acid Formula: C9H10N2O6S2 MolecularWeight: 306.3155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C9H10N2O6S2/c10-19(16,17)6-1-2-8(7(5-6)11(14)15)18-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)(H2,10,16,17)