3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzoic acid

Systemtic Name: 3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzoic acid Openeye Name: 3,5-dinitro-2-(4-sulfamoylanilino)benzoic acid CAS Name: 3,5-dinitro-2-(4-sulfamoylanilino)benzoic acid IUPAC Name: 3,5-dinitro-2-(4-sulfamoylanilino)benzoic acid Traditional Name: 3,5-dinitro-2-(4-sulfamoylanilino)benzoic acid Formula: C13H10N4O8S MolecularWeight: 382.3055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C13H10N4O8S/c14-26(24,25)9-3-1-7(2-4-9)15-12-10(13(18)19)5-8(16(20)21)6-11(12)17(22)23/h1-6,15H,(H,18,19)(H2,14,24,25)