2-[[(2-octanoyloxyethyldisulfanyl)-oxamoyl-amino]disulfanyl]ethyl octanoate

Systemtic Name: 2-[[(2-octanoyloxyethyldisulfanyl)-oxamoyl-amino]disulfanyl]ethyl octanoate Openeye Name: 2-[[(2-octanoyloxyethyldisulfanyl)-oxamoyl-amino]disulfanyl]ethyl octanoate CAS Name: octanoic acid 2-[[oxamoyl-[2-(1-oxooctoxy)ethyldisulfanyl]amino]disulfanyl]ethyl ester IUPAC Name: 2-[[(2-octanoyloxyethyldisulfanyl)-oxamoylamino]disulfanyl]ethyl octanoate Traditional Name: caprylic acid 2-[[(2-caprylyloxyethyldisulfanyl)-oxamoyl-amino]disulfanyl]ethyl ester Formula: C22H40N2O6S4 MolecularWeight: 556.8228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCSSN(C(=O)C(=O)N)SSCCOC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCCSSN(C(=O)C(=O)N)SSCCOC(=O)CCCCCCC

InChI

InChI=1S/C22H40N2O6S4/c1-3-5-7-9-11-13-19(25)29-15-17-31-33-24(22(28)21(23)27)34-32-18-16-30-20(26)14-12-10-8-6-4-2/h3-18H2,1-2H3,(H2,23,27)