[3-(4-octylsulfanylbutanoyloxy)-2,2-bis(4-octylsulfanylbutanoyloxymethyl)propyl] 4-octylsulfanylbutanoate

Systemtic Name: [3-(4-octylsulfanylbutanoyloxy)-2,2-bis(4-octylsulfanylbutanoyloxymethyl)propyl] 4-octylsulfanylbutanoate Openeye Name: [3-(4-octylsulfanylbutanoyloxy)-2,2-bis(4-octylsulfanylbutanoyloxymethyl)propyl] 4-octylsulfanylbutanoate CAS Name: 4-(octylthio)butanoic acid [3-[4-(octylthio)-1-oxobutoxy]-2,2-bis[[4-(octylthio)-1-oxobutoxy]methyl]propyl] ester IUPAC Name: [3-(4-octylsulfanylbutanoyloxy)-2,2-bis(4-octylsulfanylbutanoyloxymethyl)propyl] 4-octylsulfanylbutanoate Traditional Name: 4-(octylthio)butyric acid [3-[4-(octylthio)butanoyloxy]-2,2-bis[4-(octylthio)butanoyloxymethyl]propyl] ester Formula: C53H100O8S4 MolecularWeight: 993.6163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCC(=O)OCC(COC(=O)CCCSCCCCCCCC)(COC(=O)CCCSCCCCCCCC)COC(=O)CCCSCCCCCCCC

Isomeric SMILES

CCCCCCCCSCCCC(=O)OCC(COC(=O)CCCSCCCCCCCC)(COC(=O)CCCSCCCCCCCC)COC(=O)CCCSCCCCCCCC

InChI

InChI=1S/C53H100O8S4/c1-5-9-13-17-21-25-37-62-41-29-33-49(54)58-45-53(46-59-50(55)34-30-42-63-38-26-22-18-14-10-6-2,47-60-51(56)35-31-43-64-39-27-23-19-15-11-7-3)48-61-52(57)36-32-44-65-40-28-24-20-16-12-8-4/h5-48H2,1-4H3