sodium 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoate

Systemtic Name: sodium 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoate Openeye Name: sodium 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoate CAS Name: sodium 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]benzoate IUPAC Name: sodium 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoate Traditional Name: sodium 2-[(7-nitrobenzofurazan-4-yl)thio]benzoate Formula: C13H6N3NaO5S MolecularWeight: 339.25861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=C(C3=NON=C23)[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=C(C3=NON=C23)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H7N3O5S.Na/c17-13(18)7-3-1-2-4-9(7)22-10-6-5-8(16(19)20)11-12(10)15-21-14-11;/h1-6H,(H,17,18);/q;+1/p-1