[2-methyl-3-(2-octylsulfanylpropanoyloxy)-2-(2-octylsulfanylpropanoyloxymethyl)propyl] 2-octylsulfanylpropanoate

Systemtic Name: [2-methyl-3-(2-octylsulfanylpropanoyloxy)-2-(2-octylsulfanylpropanoyloxymethyl)propyl] 2-octylsulfanylpropanoate Openeye Name: [2-methyl-3-(2-octylsulfanylpropanoyloxy)-2-(2-octylsulfanylpropanoyloxymethyl)propyl] 2-octylsulfanylpropanoate CAS Name: 2-(octylthio)propanoic acid [2-methyl-3-[2-(octylthio)-1-oxopropoxy]-2-[[2-(octylthio)-1-oxopropoxy]methyl]propyl] ester IUPAC Name: [2-methyl-3-(2-octylsulfanylpropanoyloxy)-2-(2-octylsulfanylpropanoyloxymethyl)propyl] 2-octylsulfanylpropanoate Traditional Name: 2-(octylthio)propionic acid [2-methyl-3-[2-(octylthio)propanoyloxy]-2-[2-(octylthio)propanoyloxymethyl]propyl] ester Formula: C38H72O6S3 MolecularWeight: 721.16968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)C(=O)OCC(C)(COC(=O)C(C)SCCCCCCCC)COC(=O)C(C)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC(C)C(=O)OCC(C)(COC(=O)C(C)SCCCCCCCC)COC(=O)C(C)SCCCCCCCC

InChI

InChI=1S/C38H72O6S3/c1-8-11-14-17-20-23-26-45-32(4)35(39)42-29-38(7,30-43-36(40)33(5)46-27-24-21-18-15-12-9-2)31-44-37(41)34(6)47-28-25-22-19-16-13-10-3/h32-34H,8-31H2,1-7H3