2-butyl-5-ethanoylsulfanyl-octanoic acid

Systemtic Name: 2-butyl-5-ethanoylsulfanyl-octanoic acid Openeye Name: 5-acetylsulfanyl-2-butyl-octanoic acid CAS Name: 5-(acetylthio)-2-butyloctanoic acid IUPAC Name: 5-acetylsulfanyl-2-butyloctanoic acid Traditional Name: 5-(acetylthio)-2-butyl-caprylic acid Formula: C14H26O3S MolecularWeight: 274.41944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(CCC)SC(=O)C)C(=O)O

Isomeric SMILES

CCCCC(CCC(CCC)SC(=O)C)C(=O)O

InChI

InChI=1S/C14H26O3S/c1-4-6-8-12(14(16)17)9-10-13(7-5-2)18-11(3)15/h12-13H,4-10H2,1-3H3,(H,16,17)