methyl 2-[[5-(2-pyridin-1-ium-1-ylethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethanoate iodide

Systemtic Name: methyl 2-[[5-(2-pyridin-1-ium-1-ylethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethanoate iodide Openeye Name: methyl 2-[[5-(2-pyridin-1-ium-1-ylethylsulfanyl)-2-thioxo-1,3-dithiol-4-yl]sulfanyl]acetate iodide CAS Name: 2-[[5-[2-(1-pyridin-1-iumyl)ethylthio]-2-sulfanylidene-1,3-dithiol-4-yl]thio]acetic acid methyl ester iodide IUPAC Name: methyl 2-[[5-(2-pyridin-1-ium-1-ylethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]acetate iodide Traditional Name: 2-[[5-(2-pyridin-1-ium-1-ylethylthio)-2-thioxo-1,3-dithiol-4-yl]thio]acetic acid methyl ester iodide Formula: C13H14INO2S5 MolecularWeight: 503.48523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(SC(=S)S1)SCC[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

COC(=O)CSC1=C(SC(=S)S1)SCC[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C13H14NO2S5.HI/c1-16-10(15)9-19-12-11(20-13(17)21-12)18-8-7-14-5-3-2-4-6-14;/h2-6H,7-9H2,1H3;1H/q+1;/p-1