2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoic acid

Systemtic Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoic acid Openeye Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoic acid CAS Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]benzoic acid IUPAC Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]benzoic acid Traditional Name: 2-[(7-nitrobenzofurazan-4-yl)thio]benzoic acid Formula: C13H7N3O5S MolecularWeight: 317.27678

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H7N3O5S/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)