[3-(3-octadecylsulfanylpropanoyloxy)-2,2-bis(3-octadecylsulfanylpropanoyloxymethyl)propyl] 3-octadecylsulfanylpropanoate

Systemtic Name: [3-(3-octadecylsulfanylpropanoyloxy)-2,2-bis(3-octadecylsulfanylpropanoyloxymethyl)propyl] 3-octadecylsulfanylpropanoate Openeye Name: [3-(3-octadecylsulfanylpropanoyloxy)-2,2-bis(3-octadecylsulfanylpropanoyloxymethyl)propyl] 3-octadecylsulfanylpropanoate CAS Name: 3-(octadecylthio)propanoic acid [3-[3-(octadecylthio)-1-oxopropoxy]-2,2-bis[[3-(octadecylthio)-1-oxopropoxy]methyl]propyl] ester IUPAC Name: [3-(3-octadecylsulfanylpropanoyloxy)-2,2-bis(3-octadecylsulfanylpropanoyloxymethyl)propyl] 3-octadecylsulfanylpropanoate Traditional Name: 3-(stearylthio)propionic acid [3-[3-(stearylthio)propanoyloxy]-2,2-bis[3-(stearylthio)propanoyloxymethyl]propyl] ester Formula: C89H172O8S4 MolecularWeight: 1498.57318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H172O8S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73-98-77-69-85(90)94-81-89(82-95-86(91)70-78-99-74-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,83-96-87(92)71-79-100-75-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)84-97-88(93)72-80-101-76-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-84H2,1-4H3