[3-(4-hexadecylsulfanylbutanoyloxy)-2,2-bis(4-hexadecylsulfanylbutanoyloxymethyl)propyl] 4-hexadecylsulfanylbutanoate

Systemtic Name: [3-(4-hexadecylsulfanylbutanoyloxy)-2,2-bis(4-hexadecylsulfanylbutanoyloxymethyl)propyl] 4-hexadecylsulfanylbutanoate Openeye Name: [3-(4-hexadecylsulfanylbutanoyloxy)-2,2-bis(4-hexadecylsulfanylbutanoyloxymethyl)propyl] 4-hexadecylsulfanylbutanoate CAS Name: 4-(hexadecylthio)butanoic acid [3-[4-(hexadecylthio)-1-oxobutoxy]-2,2-bis[[4-(hexadecylthio)-1-oxobutoxy]methyl]propyl] ester IUPAC Name: [3-(4-hexadecylsulfanylbutanoyloxy)-2,2-bis(4-hexadecylsulfanylbutanoyloxymethyl)propyl] 4-hexadecylsulfanylbutanoate Traditional Name: 4-(cetylthio)butyric acid [3-[4-(cetylthio)butanoyloxy]-2,2-bis[4-(cetylthio)butanoyloxymethyl]propyl] ester Formula: C85H164O8S4 MolecularWeight: 1442.46686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCCC(=O)OCC(COC(=O)CCCSCCCCCCCCCCCCCCCC)(COC(=O)CCCSCCCCCCCCCCCCCCCC)COC(=O)CCCSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCCC(=O)OCC(COC(=O)CCCSCCCCCCCCCCCCCCCC)(COC(=O)CCCSCCCCCCCCCCCCCCCC)COC(=O)CCCSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C85H164O8S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-69-94-73-61-65-81(86)90-77-85(78-91-82(87)66-62-74-95-70-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,79-92-83(88)67-63-75-96-71-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-93-84(89)68-64-76-97-72-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-80H2,1-4H3