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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6S2/c1-5(9(12)13)18-8-3-2-6(19(10,16)17)4-7(8)11(14)15/h2-5H,1H3,(H,12,13)(H2,10,16,17)