[3-(3-tetradecylsulfanylbutanoyloxy)-2,2-bis(3-tetradecylsulfanylbutanoyloxymethyl)propyl] 3-tetradecylsulfanylbutanoate

Systemtic Name: [3-(3-tetradecylsulfanylbutanoyloxy)-2,2-bis(3-tetradecylsulfanylbutanoyloxymethyl)propyl] 3-tetradecylsulfanylbutanoate Openeye Name: [3-(3-tetradecylsulfanylbutanoyloxy)-2,2-bis(3-tetradecylsulfanylbutanoyloxymethyl)propyl] 3-tetradecylsulfanylbutanoate CAS Name: 3-(tetradecylthio)butanoic acid [3-[1-oxo-3-(tetradecylthio)butoxy]-2,2-bis[[1-oxo-3-(tetradecylthio)butoxy]methyl]propyl] ester IUPAC Name: [3-(3-tetradecylsulfanylbutanoyloxy)-2,2-bis(3-tetradecylsulfanylbutanoyloxymethyl)propyl] 3-tetradecylsulfanylbutanoate Traditional Name: 3-(myristylthio)butyric acid [3-[3-(myristylthio)butanoyloxy]-2,2-bis[3-(myristylthio)butanoyloxymethyl]propyl] ester Formula: C77H148O8S4 MolecularWeight: 1330.25422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCCCCCCC

InChI

InChI=1S/C77H148O8S4/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-86-69(5)61-73(78)82-65-77(66-83-74(79)62-70(6)87-58-54-50-46-42-38-34-30-26-22-18-14-10-2,67-84-75(80)63-71(7)88-59-55-51-47-43-39-35-31-27-23-19-15-11-3)68-85-76(81)64-72(8)89-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h69-72H,9-68H2,1-8H3