2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanesulfonic acid; sodium

Systemtic Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanesulfonic acid; sodium Openeye Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanesulfonic acid; sodium CAS Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanesulfonic acid; sodium IUPAC Name: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethanesulfonic acid; sodium Traditional Name: 2-[(7-nitrobenzofurazan-4-yl)amino]ethanesulfonic acid; sodium Formula: C8H8N4NaO6S MolecularWeight: 311.22709

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCS(=O)(=O)O.[Na]

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCS(=O)(=O)O.[Na]

InChI

InChI=1S/C8H8N4O6S.Na/c13-12(14)6-2-1-5(7-8(6)11-18-10-7)9-3-4-19(15,16)17;/h1-2,9H,3-4H2,(H,15,16,17);