5-[[(2,4-dinitrophenyl)amino]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(2,4-dinitrophenyl)amino]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(2,4-dinitroanilino)sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[(2,4-dinitroanilino)sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(2,4-dinitroanilino)sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[(2,4-dinitroanilino)sulfamoyl]-2-hydroxy-benzoic acid Formula: C13H10N4O9S MolecularWeight: 398.3049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H10N4O9S/c18-12-4-2-8(6-9(12)13(19)20)27(25,26)15-14-10-3-1-7(16(21)22)5-11(10)17(23)24/h1-6,14-15,18H,(H,19,20)