3-ethanoylsulfanyl-8-ethoxy-8-oxidanylidene-octanoic acid

Systemtic Name: 3-ethanoylsulfanyl-8-ethoxy-8-oxidanylidene-octanoic acid Openeye Name: 3-acetylsulfanyl-8-ethoxy-8-oxo-octanoic acid CAS Name: 3-(acetylthio)-8-ethoxy-8-oxooctanoic acid IUPAC Name: 3-acetylsulfanyl-8-ethoxy-8-oxooctanoic acid Traditional Name: 3-(acetylthio)-8-ethoxy-8-keto-caprylic acid Formula: C12H20O5S MolecularWeight: 276.3492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(CC(=O)O)SC(=O)C

Isomeric SMILES

CCOC(=O)CCCCC(CC(=O)O)SC(=O)C

InChI

InChI=1S/C12H20O5S/c1-3-17-12(16)7-5-4-6-10(8-11(14)15)18-9(2)13/h10H,3-8H2,1-2H3,(H,14,15)