N-[1,3-bis(oxidanyl)-4-oxidanylidene-nonadecan-2-yl]docosanamide

Systemtic Name: N-[1,3-bis(oxidanyl)-4-oxidanylidene-nonadecan-2-yl]docosanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-3-oxo-octadecyl]docosanamide CAS Name: N-(1,3-dihydroxy-4-oxononadecan-2-yl)docosanamide IUPAC Name: N-(1,3-dihydroxy-4-oxononadecan-2-yl)docosanamide Traditional Name: N-(2-hydroxy-3-keto-1-methylol-octadecyl)behenamide Formula: C41H81NO4 MolecularWeight: 652.08614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(=O)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(=O)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38,41,43,46H,3-37H2,1-2H3,(H,42,45)