[3-(3-pentylsulfanylpropanoyloxy)-2,2-bis(3-pentylsulfanylpropanoyloxymethyl)propyl] 3-pentylsulfanylpropanoate

Systemtic Name: [3-(3-pentylsulfanylpropanoyloxy)-2,2-bis(3-pentylsulfanylpropanoyloxymethyl)propyl] 3-pentylsulfanylpropanoate Openeye Name: [3-(3-pentylsulfanylpropanoyloxy)-2,2-bis(3-pentylsulfanylpropanoyloxymethyl)propyl] 3-pentylsulfanylpropanoate CAS Name: 3-(pentylthio)propanoic acid [3-[1-oxo-3-(pentylthio)propoxy]-2,2-bis[[1-oxo-3-(pentylthio)propoxy]methyl]propyl] ester IUPAC Name: [3-(3-pentylsulfanylpropanoyloxy)-2,2-bis(3-pentylsulfanylpropanoyloxymethyl)propyl] 3-pentylsulfanylpropanoate Traditional Name: 3-(amylthio)propionic acid [3-[3-(amylthio)propanoyloxy]-2,2-bis[3-(amylthio)propanoyloxymethyl]propyl] ester Formula: C37H68O8S4 MolecularWeight: 769.19102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC(=O)OCC(COC(=O)CCSCCCCC)(COC(=O)CCSCCCCC)COC(=O)CCSCCCCC

Isomeric SMILES

CCCCCSCCC(=O)OCC(COC(=O)CCSCCCCC)(COC(=O)CCSCCCCC)COC(=O)CCSCCCCC

InChI

InChI=1S/C37H68O8S4/c1-5-9-13-21-46-25-17-33(38)42-29-37(30-43-34(39)18-26-47-22-14-10-6-2,31-44-35(40)19-27-48-23-15-11-7-3)32-45-36(41)20-28-49-24-16-12-8-4/h5-32H2,1-4H3