[3-(3-hexadecylsulfanylbutanoyloxy)-2,2-bis(3-hexadecylsulfanylbutanoyloxymethyl)propyl] 3-hexadecylsulfanylbutanoate

Systemtic Name: [3-(3-hexadecylsulfanylbutanoyloxy)-2,2-bis(3-hexadecylsulfanylbutanoyloxymethyl)propyl] 3-hexadecylsulfanylbutanoate Openeye Name: [3-(3-hexadecylsulfanylbutanoyloxy)-2,2-bis(3-hexadecylsulfanylbutanoyloxymethyl)propyl] 3-hexadecylsulfanylbutanoate CAS Name: 3-(hexadecylthio)butanoic acid [3-[3-(hexadecylthio)-1-oxobutoxy]-2,2-bis[[3-(hexadecylthio)-1-oxobutoxy]methyl]propyl] ester IUPAC Name: [3-(3-hexadecylsulfanylbutanoyloxy)-2,2-bis(3-hexadecylsulfanylbutanoyloxymethyl)propyl] 3-hexadecylsulfanylbutanoate Traditional Name: 3-(cetylthio)butyric acid [3-[3-(cetylthio)butanoyloxy]-2,2-bis[3-(cetylthio)butanoyloxymethyl]propyl] ester Formula: C85H164O8S4 MolecularWeight: 1442.46686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCCCCCCCCC

InChI

InChI=1S/C85H164O8S4/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-94-77(5)69-81(86)90-73-85(74-91-82(87)70-78(6)95-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,75-92-83(88)71-79(7)96-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)76-93-84(89)72-80(8)97-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h77-80H,9-76H2,1-8H3