5-ethanoylsulfanyl-2-methyl-octanoate

Systemtic Name: 5-ethanoylsulfanyl-2-methyl-octanoate Openeye Name: 5-acetylsulfanyl-2-methyl-octanoate CAS Name: 5-(acetylthio)-2-methyloctanoate IUPAC Name: 5-acetylsulfanyl-2-methyloctanoate Traditional Name: 5-(acetylthio)-2-methyl-caprylate Formula: C11H19O3S- MolecularWeight: 231.33176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C)C(=O)[O-])SC(=O)C

Isomeric SMILES

CCCC(CCC(C)C(=O)[O-])SC(=O)C

InChI

InChI=1S/C11H20O3S/c1-4-5-10(15-9(3)12)7-6-8(2)11(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)/p-1