1-[2,4-bis(oxidanyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,4-bis(oxidanyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,4-dihydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(2,4-dihydroxyphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(2,4-dihydroxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)C2=C(C=C(C=C2)O)O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)C2=C(C=C(C=C2)O)O)[O-]

InChI

InChI=1S/C13H11NO4S/c15-9-4-5-10(11(16)7-9)12(17)8-19-13-3-1-2-6-14(13)18/h1-7,15-16H,8H2