4-azanyl-3,5-dinitro-benzoic acid; sulfuric acid

Systemtic Name: 4-azanyl-3,5-dinitro-benzoic acid; sulfuric acid Openeye Name: 4-amino-3,5-dinitro-benzoic acid; sulfuric acid CAS Name: 4-amino-3,5-dinitrobenzoic acid; sulfuric acid IUPAC Name: 4-amino-3,5-dinitrobenzoic acid; sulfuric acid Traditional Name: 4-amino-3,5-dinitro-benzoic acid; sulfuric acid Formula: C7H7N3O10S MolecularWeight: 325.20958

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(=O)O.OS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C7H5N3O6.H2O4S/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16;1-5(2,3)4/h1-2H,8H2,(H,11,12);(H2,1,2,3,4)