5-butanoylsulfanyloctanoate

Systemtic Name: 5-butanoylsulfanyloctanoate Openeye Name: 5-butanoylsulfanyloctanoate CAS Name: 5-(1-oxobutylthio)octanoate IUPAC Name: 5-butanoylsulfanyloctanoate Traditional Name: 5-(butyrylthio)caprylate Formula: C12H21O3S- MolecularWeight: 245.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3S/c1-3-6-10(8-5-9-11(13)14)16-12(15)7-4-2/h10H,3-9H2,1-2H3,(H,13,14)/p-1