3-methylsulfanylpropanoyl 8-sulfanyloctanoate

Systemtic Name: 3-methylsulfanylpropanoyl 8-sulfanyloctanoate Openeye Name: 3-methylsulfanylpropanoyl 8-sulfanyloctanoate CAS Name: 8-mercaptooctanoic acid [3-(methylthio)-1-oxopropyl] ester IUPAC Name: 3-methylsulfanylpropanoyl 8-sulfanyloctanoate Traditional Name: 8-mercaptocaprylic acid 3-(methylthio)propanoyl ester Formula: C12H22O3S2 MolecularWeight: 278.43128

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)OC(=O)CCCCCCCS

Isomeric SMILES

CSCCC(=O)OC(=O)CCCCCCCS

InChI

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