[3-(3-hexadecylsulfanylpropanoyloxy)-2,2-bis(3-hexadecylsulfanylpropanoyloxymethyl)propyl] 3-hexadecylsulfanylpropanoate

Systemtic Name: [3-(3-hexadecylsulfanylpropanoyloxy)-2,2-bis(3-hexadecylsulfanylpropanoyloxymethyl)propyl] 3-hexadecylsulfanylpropanoate Openeye Name: [3-(3-hexadecylsulfanylpropanoyloxy)-2,2-bis(3-hexadecylsulfanylpropanoyloxymethyl)propyl] 3-hexadecylsulfanylpropanoate CAS Name: 3-(hexadecylthio)propanoic acid [3-[3-(hexadecylthio)-1-oxopropoxy]-2,2-bis[[3-(hexadecylthio)-1-oxopropoxy]methyl]propyl] ester IUPAC Name: [3-(3-hexadecylsulfanylpropanoyloxy)-2,2-bis(3-hexadecylsulfanylpropanoyloxymethyl)propyl] 3-hexadecylsulfanylpropanoate Traditional Name: 3-(cetylthio)propionic acid [3-[3-(cetylthio)propanoyloxy]-2,2-bis[3-(cetylthio)propanoyloxymethyl]propyl] ester Formula: C81H156O8S4 MolecularWeight: 1386.36054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C81H156O8S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65-90-69-61-77(82)86-73-81(74-87-78(83)62-70-91-66-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,75-88-79(84)63-71-92-67-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-89-80(85)64-72-93-68-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-76H2,1-4H3