5-butanoylsulfanyl-2-ethyl-octanoate

Systemtic Name: 5-butanoylsulfanyl-2-ethyl-octanoate Openeye Name: 5-butanoylsulfanyl-2-ethyl-octanoate CAS Name: 2-ethyl-5-(1-oxobutylthio)octanoate IUPAC Name: 5-butanoylsulfanyl-2-ethyloctanoate Traditional Name: 5-(butyrylthio)-2-ethyl-caprylate Formula: C14H25O3S- MolecularWeight: 273.4115

Click to see the large picture

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)/p-1