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

Systemtic Name: 4-methyl-3-nitro-5-sulfamoyl-benzoic acid Openeye Name: 4-methyl-3-nitro-5-sulfamoyl-benzoic acid CAS Name: 4-methyl-3-nitro-5-sulfamoylbenzoic acid IUPAC Name: 4-methyl-3-nitro-5-sulfamoylbenzoic acid Traditional Name: 4-methyl-3-nitro-5-sulfamoyl-benzoic acid Formula: C8H8N2O6S MolecularWeight: 260.22392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O6S/c1-4-6(10(13)14)2-5(8(11)12)3-7(4)17(9,15)16/h2-3H,1H3,(H,11,12)(H2,9,15,16)