[2,2-bis(3-docosylsulfanylpropanoyloxymethyl)-3-oxidanyl-propyl] 3-docosylsulfanylpropanoate

Systemtic Name: [2,2-bis(3-docosylsulfanylpropanoyloxymethyl)-3-oxidanyl-propyl] 3-docosylsulfanylpropanoate Openeye Name: [2,2-bis(3-docosylsulfanylpropanoyloxymethyl)-3-hydroxy-propyl] 3-docosylsulfanylpropanoate CAS Name: 3-(docosylthio)propanoic acid [2,2-bis[[3-(docosylthio)-1-oxopropoxy]methyl]-3-hydroxypropyl] ester IUPAC Name: [2,2-bis(3-docosylsulfanylpropanoyloxymethyl)-3-hydroxypropyl] 3-docosylsulfanylpropanoate Traditional Name: 3-(behenylthio)propionic acid [2,2-bis[3-(behenylthio)propanoyloxymethyl]-3-hydroxy-propyl] ester Formula: C80H156O7S3 MolecularWeight: 1326.28544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSCCC(=O)OCC(CO)(COC(=O)CCSCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSCCC(=O)OCC(CO)(COC(=O)CCSCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C80H156O7S3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67-88-70-64-77(82)85-74-80(73-81,75-86-78(83)65-71-89-68-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)76-87-79(84)66-72-90-69-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h81H,4-76H2,1-3H3