5-ethanoylsulfanyl-2-ethyl-octanoic acid

Systemtic Name: 5-ethanoylsulfanyl-2-ethyl-octanoic acid Openeye Name: 5-acetylsulfanyl-2-ethyl-octanoic acid CAS Name: 5-(acetylthio)-2-ethyloctanoic acid IUPAC Name: 5-acetylsulfanyl-2-ethyloctanoic acid Traditional Name: 5-(acetylthio)-2-ethyl-caprylic acid Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(CC)C(=O)O)SC(=O)C

Isomeric SMILES

CCCC(CCC(CC)C(=O)O)SC(=O)C

InChI

InChI=1S/C12H22O3S/c1-4-6-11(16-9(3)13)8-7-10(5-2)12(14)15/h10-11H,4-8H2,1-3H3,(H,14,15)