2-azanyl-3,4-dinitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-3,4-dinitro-benzenesulfonic acid Openeye Name: 2-amino-3,4-dinitro-benzenesulfonic acid CAS Name: 2-amino-3,4-dinitrobenzenesulfonic acid IUPAC Name: 2-amino-3,4-dinitrobenzenesulfonic acid Traditional Name: 2-amino-3,4-dinitro-besylic acid Formula: C6H5N3O7S MolecularWeight: 263.1848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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