2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetate IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetate Formula: C7H6NO3S- MolecularWeight: 184.19244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO3S/c9-7(10)5-12-6-3-1-2-4-8(6)11/h1-4H,5H2,(H,9,10)/p-1