2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid CAS Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)thio]acetic acid IUPAC Name: 2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-nitrobenzofurazan-5-yl)thio]acetic acid Formula: C8H5N3O5S MolecularWeight: 255.2074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NON=C2C(=C1SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=NON=C2C(=C1SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O5S/c12-6(13)3-17-5-2-1-4-7(10-16-9-4)8(5)11(14)15/h1-2H,3H2,(H,12,13)