2-[2-(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(4-amino-2-oxido-furazan-2-ium-3-yl)-2-keto-ethyl]thio]acetic acid Formula: C6H7N3O5S MolecularWeight: 233.20188

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)C1=[N+](ON=C1N)[O-])SCC(=O)O

Isomeric SMILES

C(C(=O)C1=[N+](ON=C1N)[O-])SCC(=O)O

InChI

InChI=1S/C6H7N3O5S/c7-6-5(9(13)14-8-6)3(10)1-15-2-4(11)12/h1-2H2,(H2,7,8)(H,11,12)