docosyl 2-(1-docosoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate

Systemtic Name: docosyl 2-(1-docosoxy-1-oxidanylidene-propan-2-yl)sulfanylpropanoate Openeye Name: docosyl 2-(2-docosoxy-1-methyl-2-oxo-ethyl)sulfanylpropanoate CAS Name: 2-[(1-docosoxy-1-oxopropan-2-yl)thio]propanoic acid docosyl ester IUPAC Name: docosyl 2-(1-docosoxy-1-oxopropan-2-yl)sulfanylpropanoate Traditional Name: 2-[(2-behenyloxy-2-keto-1-methyl-ethyl)thio]propionic acid behenyl ester Formula: C50H98O4S MolecularWeight: 795.37572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C)SC(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H98O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-53-49(51)47(3)55-48(4)50(52)54-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3