[3-(3-nonylsulfanylbutanoyloxy)-2,2-bis(3-nonylsulfanylbutanoyloxymethyl)propyl] 3-nonylsulfanylbutanoate

Systemtic Name: [3-(3-nonylsulfanylbutanoyloxy)-2,2-bis(3-nonylsulfanylbutanoyloxymethyl)propyl] 3-nonylsulfanylbutanoate Openeye Name: [3-(3-nonylsulfanylbutanoyloxy)-2,2-bis(3-nonylsulfanylbutanoyloxymethyl)propyl] 3-nonylsulfanylbutanoate CAS Name: 3-(nonylthio)butanoic acid [3-[3-(nonylthio)-1-oxobutoxy]-2,2-bis[[3-(nonylthio)-1-oxobutoxy]methyl]propyl] ester IUPAC Name: [3-(3-nonylsulfanylbutanoyloxy)-2,2-bis(3-nonylsulfanylbutanoyloxymethyl)propyl] 3-nonylsulfanylbutanoate Traditional Name: 3-(nonylthio)butyric acid [3-[3-(nonylthio)butanoyloxy]-2,2-bis[3-(nonylthio)butanoyloxymethyl]propyl] ester Formula: C57H108O8S4 MolecularWeight: 1049.72262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCC

Isomeric SMILES

CCCCCCCCCSC(C)CC(=O)OCC(COC(=O)CC(C)SCCCCCCCCC)(COC(=O)CC(C)SCCCCCCCCC)COC(=O)CC(C)SCCCCCCCCC

InChI

InChI=1S/C57H108O8S4/c1-9-13-17-21-25-29-33-37-66-49(5)41-53(58)62-45-57(46-63-54(59)42-50(6)67-38-34-30-26-22-18-14-10-2,47-64-55(60)43-51(7)68-39-35-31-27-23-19-15-11-3)48-65-56(61)44-52(8)69-40-36-32-28-24-20-16-12-4/h49-52H,9-48H2,1-8H3