N-[(E)-3-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-docos-13-en-3-yl]hexadecanamide

Systemtic Name: N-[(E)-3-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-docos-13-en-3-yl]hexadecanamide Openeye Name: N-[(E)-1-ethyl-2-hydroxy-1-(hydroxymethyl)-3-oxo-icos-11-enyl]hexadecanamide CAS Name: N-[(E)-4-hydroxy-3-(hydroxymethyl)-5-oxodocos-13-en-3-yl]hexadecanamide IUPAC Name: N-[(E)-4-hydroxy-3-(hydroxymethyl)-5-oxodocos-13-en-3-yl]hexadecanamide Traditional Name: N-[(E)-1-ethyl-2-hydroxy-3-keto-1-methylol-eicos-11-enyl]palmitamide Formula: C39H75NO4 MolecularWeight: 622.0171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC)(CO)C(C(=O)CCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC)(CO)C(C(=O)CCCCCCC/C=C/CCCCCCCC)O

InChI

InChI=1S/C39H75NO4/c1-4-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-36(42)38(44)39(6-3,35-41)40-37(43)34-32-30-28-26-24-21-18-16-14-12-10-8-5-2/h19-20,38,41,44H,4-18,21-35H2,1-3H3,(H,40,43)/b20-19+