methyl 5-[3-[(5-methoxycarbonyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propylsulfanyl]-1,3-dithiol-1-ium-4-carboxylate

Systemtic Name: methyl 5-[3-[(5-methoxycarbonyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propylsulfanyl]-1,3-dithiol-1-ium-4-carboxylate Openeye Name: methyl 5-[3-[(5-methoxycarbonyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propylsulfanyl]-1,3-dithiol-1-ium-4-carboxylate CAS Name: 5-[3-[(5-methoxycarbonyl-1,3-dithiol-3-ium-4-yl)thio]propylthio]-1,3-dithiol-1-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-[(5-methoxycarbonyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propylsulfanyl]-1,3-dithiol-1-ium-4-carboxylate Traditional Name: 5-[3-[(5-carbomethoxy-1,3-dithiol-3-ium-4-yl)thio]propylthio]-1,3-dithiol-1-ium-4-carboxylic acid methyl ester Formula: C13H14O4S6+2 MolecularWeight: 426.63786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C([S+]=CS1)SCCCSC2=C(SC=[S+]2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C([S+]=CS1)SCCCSC2=C(SC=[S+]2)C(=O)OC

InChI

InChI=1S/C13H14O4S6/c1-16-10(14)8-12(22-6-20-8)18-4-3-5-19-13-9(11(15)17-2)21-7-23-13/h6-7H,3-5H2,1-2H3/q+2