[3-(4-octadecylsulfanylbutanoyloxy)-2,2-bis(4-octadecylsulfanylbutanoyloxymethyl)propyl] 4-octadecylsulfanylbutanoate

Systemtic Name: [3-(4-octadecylsulfanylbutanoyloxy)-2,2-bis(4-octadecylsulfanylbutanoyloxymethyl)propyl] 4-octadecylsulfanylbutanoate Openeye Name: [3-(4-octadecylsulfanylbutanoyloxy)-2,2-bis(4-octadecylsulfanylbutanoyloxymethyl)propyl] 4-octadecylsulfanylbutanoate CAS Name: 4-(octadecylthio)butanoic acid [3-[4-(octadecylthio)-1-oxobutoxy]-2,2-bis[[4-(octadecylthio)-1-oxobutoxy]methyl]propyl] ester IUPAC Name: [3-(4-octadecylsulfanylbutanoyloxy)-2,2-bis(4-octadecylsulfanylbutanoyloxymethyl)propyl] 4-octadecylsulfanylbutanoate Traditional Name: 4-(stearylthio)butyric acid [3-[4-(stearylthio)butanoyloxy]-2,2-bis[4-(stearylthio)butanoyloxymethyl]propyl] ester Formula: C93H180O8S4 MolecularWeight: 1554.6795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCCC(=O)OCC(COC(=O)CCCSCCCCCCCCCCCCCCCCCC)(COC(=O)CCCSCCCCCCCCCCCCCCCCCC)COC(=O)CCCSCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCCC(=O)OCC(COC(=O)CCCSCCCCCCCCCCCCCCCCCC)(COC(=O)CCCSCCCCCCCCCCCCCCCCCC)COC(=O)CCCSCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C93H180O8S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77-102-81-69-73-89(94)98-85-93(86-99-90(95)74-70-82-103-78-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)75-71-83-104-79-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)76-72-84-105-80-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3