methyl 2-methylsulfanyloctanoate

Systemtic Name: methyl 2-methylsulfanyloctanoate Openeye Name: methyl 2-methylsulfanyloctanoate CAS Name: 2-(methylthio)octanoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyloctanoate Traditional Name: 2-(methylthio)caprylic acid methyl ester Formula: C10H20O2S MolecularWeight: 204.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC)SC

Isomeric SMILES

CCCCCCC(C(=O)OC)SC

InChI

InChI=1S/C10H20O2S/c1-4-5-6-7-8-9(13-3)10(11)12-2/h9H,4-8H2,1-3H3