3-methylsulfanylpropanoyl 8-sulfanyloctanoate iodide

Systemtic Name: 3-methylsulfanylpropanoyl 8-sulfanyloctanoate iodide Openeye Name: 3-methylsulfanylpropanoyl 8-sulfanyloctanoate iodide CAS Name: 8-mercaptooctanoic acid [3-(methylthio)-1-oxopropyl] ester iodide IUPAC Name: 3-methylsulfanylpropanoyl 8-sulfanyloctanoate iodide Traditional Name: 8-mercaptocaprylic acid 3-(methylthio)propanoyl ester iodide Formula: C12H22IO3S2- MolecularWeight: 405.33575

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)OC(=O)CCCCCCCS.[I-]

Isomeric SMILES

CSCCC(=O)OC(=O)CCCCCCCS.[I-]

InChI

InChI=1S/C12H22O3S2.HI/c1-17-10-8-12(14)15-11(13)7-5-3-2-4-6-9-16;/h16H,2-10H2,1H3;1H/p-1