2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate

Systemtic Name: 2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate Openeye Name: 2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate CAS Name: docosanoic acid 2-[2-(1-oxodocosoxy)ethylthio]ethyl ester IUPAC Name: 2-(2-docosanoyloxyethylsulfanyl)ethyl docosanoate Traditional Name: behenic acid 2-(2-docosanoyloxyethylthio)ethyl ester Formula: C48H94O4S MolecularWeight: 767.32256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H94O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(49)51-43-45-53-46-44-52-48(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3