S-octadecyl henicosanethioate

Systemtic Name: S-octadecyl henicosanethioate Openeye Name: S-octadecyl henicosanethioate CAS Name: heneicosanethioic acid S-octadecyl ester IUPAC Name: S-octadecyl henicosanethioate Traditional Name: heneicosanethioic acid S-stearyl ester Formula: C39H78OS MolecularWeight: 595.10102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)SCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)SCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C39H78OS/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39(40)41-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3