2-azanyl-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-3,5-dinitro-benzenesulfonic acid Openeye Name: 2-amino-3,5-dinitro-benzenesulfonic acid CAS Name: 2-amino-3,5-dinitrobenzenesulfonic acid IUPAC Name: 2-amino-3,5-dinitrobenzenesulfonic acid Traditional Name: 2-amino-3,5-dinitro-besylic acid Formula: C6H5N3O7S MolecularWeight: 263.1848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5N3O7S/c7-6-4(9(12)13)1-3(8(10)11)2-5(6)17(14,15)16/h1-2H,7H2,(H,14,15,16)