methyl 2,4-dinitro-6-sulfamoyl-benzoate

Systemtic Name: methyl 2,4-dinitro-6-sulfamoyl-benzoate Openeye Name: methyl 2,4-dinitro-6-sulfamoyl-benzoate CAS Name: 2,4-dinitro-6-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2,4-dinitro-6-sulfamoylbenzoate Traditional Name: 2,4-dinitro-6-sulfamoyl-benzoic acid methyl ester Formula: C8H7N3O8S MolecularWeight: 305.22148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O8S/c1-19-8(12)7-5(11(15)16)2-4(10(13)14)3-6(7)20(9,17)18/h2-3H,1H3,(H2,9,17,18)