5-hexylsulfanyloctanoate

Systemtic Name: 5-hexylsulfanyloctanoate Openeye Name: 5-hexylsulfanyloctanoate CAS Name: 5-(hexylthio)octanoate IUPAC Name: 5-hexylsulfanyloctanoate Traditional Name: 5-(hexylthio)caprylate Formula: C14H27O2S- MolecularWeight: 259.42798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28O2S/c1-3-5-6-7-12-17-13(9-4-2)10-8-11-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)/p-1