5-butanoylsulfanyl-2-ethyl-octanoic acid

Systemtic Name: 5-butanoylsulfanyl-2-ethyl-octanoic acid Openeye Name: 5-butanoylsulfanyl-2-ethyl-octanoic acid CAS Name: 2-ethyl-5-(1-oxobutylthio)octanoic acid IUPAC Name: 5-butanoylsulfanyl-2-ethyloctanoic acid Traditional Name: 5-(butyrylthio)-2-ethyl-caprylic acid Formula: C14H26O3S MolecularWeight: 274.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O3S/c1-4-7-12(18-13(15)8-5-2)10-9-11(6-3)14(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)