3-nitro-5-sulfamoyl-4-sulfanyl-benzoic acid

Systemtic Name: 3-nitro-5-sulfamoyl-4-sulfanyl-benzoic acid Openeye Name: 3-nitro-5-sulfamoyl-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 3-nitro-5-sulfamoyl-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-3-nitro-5-sulfamoyl-benzoic acid Formula: C7H6N2O6S2 MolecularWeight: 278.26234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O6S2/c8-17(14,15)5-2-3(7(10)11)1-4(6(5)16)9(12)13/h1-2,16H,(H,10,11)(H2,8,14,15)