N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-oxidanyl-icosanamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-oxidanyl-icosanamide Openeye Name: 2-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]icosanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyeicosanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyicosanamide Traditional Name: 2-hydroxy-N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]arachidamide Formula: C38H75NO4 MolecularWeight: 610.0064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O)O

InChI

InChI=1S/C38H75NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h30,32,35-37,40-42H,3-29,31,33-34H2,1-2H3,(H,39,43)/b32-30+