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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCC)(COC(=O)CC(C)SCCCCCCCC)COC(=O)CC(C)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCC)(COC(=O)CC(C)SCCCCCCCC)COC(=O)CC(C)SCCCCCCCC

InChI

InChI=1S/C53H100O8S4/c1-9-13-17-21-25-29-33-62-45(5)37-49(54)58-41-53(42-59-50(55)38-46(6)63-34-30-26-22-18-14-10-2,43-60-51(56)39-47(7)64-35-31-27-23-19-15-11-3)44-61-52(57)40-48(8)65-36-32-28-24-20-16-12-4/h45-48H,9-44H2,1-8H3