(1-octanoylsulfanyl-3-oxidanyl-propan-2-yl) octanoate

Systemtic Name: (1-octanoylsulfanyl-3-oxidanyl-propan-2-yl) octanoate Openeye Name: [1-(hydroxymethyl)-2-octanoylsulfanyl-ethyl] octanoate CAS Name: octanoic acid [1-hydroxy-3-(1-oxooctylthio)propan-2-yl] ester IUPAC Name: (1-hydroxy-3-octanoylsulfanylpropan-2-yl) octanoate Traditional Name: caprylic acid [1-[(caprylylthio)methyl]-2-hydroxy-ethyl] ester Formula: C19H36O4S MolecularWeight: 360.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CO)CSC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(CO)CSC(=O)CCCCCCC

InChI

InChI=1S/C19H36O4S/c1-3-5-7-9-11-13-18(21)23-17(15-20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3