[3-(3-octadecylsulfanylbutanoyloxy)-2,2-bis(3-octadecylsulfanylbutanoyloxymethyl)propyl] 3-octadecylsulfanylbutanoate

Systemtic Name: [3-(3-octadecylsulfanylbutanoyloxy)-2,2-bis(3-octadecylsulfanylbutanoyloxymethyl)propyl] 3-octadecylsulfanylbutanoate Openeye Name: [3-(3-octadecylsulfanylbutanoyloxy)-2,2-bis(3-octadecylsulfanylbutanoyloxymethyl)propyl] 3-octadecylsulfanylbutanoate CAS Name: 3-(octadecylthio)butanoic acid [3-[3-(octadecylthio)-1-oxobutoxy]-2,2-bis[[3-(octadecylthio)-1-oxobutoxy]methyl]propyl] ester IUPAC Name: [3-(3-octadecylsulfanylbutanoyloxy)-2,2-bis(3-octadecylsulfanylbutanoyloxymethyl)propyl] 3-octadecylsulfanylbutanoate Traditional Name: 3-(stearylthio)butyric acid [3-[3-(stearylthio)butanoyloxy]-2,2-bis[3-(stearylthio)butanoyloxymethyl]propyl] ester Formula: C93H180O8S4 MolecularWeight: 1554.6795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCCCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCCCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCCCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCCCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C93H180O8S4/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-102-85(5)77-89(94)98-81-93(82-99-90(95)78-86(6)103-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,83-100-91(96)79-87(7)104-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)84-101-92(97)80-88(8)105-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h85-88H,9-84H2,1-8H3