[3-(3-octylsulfanylpropanoyloxy)-2,2-bis(3-octylsulfanylpropanoyloxymethyl)propyl] 3-octylsulfanylpropanoate

Systemtic Name: [3-(3-octylsulfanylpropanoyloxy)-2,2-bis(3-octylsulfanylpropanoyloxymethyl)propyl] 3-octylsulfanylpropanoate Openeye Name: [3-(3-octylsulfanylpropanoyloxy)-2,2-bis(3-octylsulfanylpropanoyloxymethyl)propyl] 3-octylsulfanylpropanoate CAS Name: 3-(octylthio)propanoic acid [3-[3-(octylthio)-1-oxopropoxy]-2,2-bis[[3-(octylthio)-1-oxopropoxy]methyl]propyl] ester IUPAC Name: [3-(3-octylsulfanylpropanoyloxy)-2,2-bis(3-octylsulfanylpropanoyloxymethyl)propyl] 3-octylsulfanylpropanoate Traditional Name: 3-(octylthio)propionic acid [3-[3-(octylthio)propanoyloxy]-2,2-bis[3-(octylthio)propanoyloxymethyl]propyl] ester Formula: C49H92O8S4 MolecularWeight: 937.50998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCC)(COC(=O)CCSCCCCCCCC)COC(=O)CCSCCCCCCCC

Isomeric SMILES

CCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCC)(COC(=O)CCSCCCCCCCC)COC(=O)CCSCCCCCCCC

InChI

InChI=1S/C49H92O8S4/c1-5-9-13-17-21-25-33-58-37-29-45(50)54-41-49(42-55-46(51)30-38-59-34-26-22-18-14-10-6-2,43-56-47(52)31-39-60-35-27-23-19-15-11-7-3)44-57-48(53)32-40-61-36-28-24-20-16-12-8-4/h5-44H2,1-4H3