2-butyl-5-hexylsulfanyl-octanoate

Systemtic Name: 2-butyl-5-hexylsulfanyl-octanoate Openeye Name: 2-butyl-5-hexylsulfanyl-octanoate CAS Name: 2-butyl-5-(hexylthio)octanoate IUPAC Name: 2-butyl-5-hexylsulfanyloctanoate Traditional Name: 2-butyl-5-(hexylthio)caprylate Formula: C18H35O2S- MolecularWeight: 315.5343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2S/c1-4-7-9-10-15-21-17(11-6-3)14-13-16(18(19)20)12-8-5-2/h16-17H,4-15H2,1-3H3,(H,19,20)/p-1