N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-octadecanamide

Systemtic Name: N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-octadecanamide Openeye Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]octadecanamide CAS Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyoctadecanamide IUPAC Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyoctadecanamide Traditional Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-methylol-heptadeca-3,7-dienyl]stearamide Formula: C36H69NO4 MolecularWeight: 579.93736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C=CCCC=CCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O

InChI

InChI=1S/C36H69NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28,30,33-35,38-40H,3-19,21,23-27,29,31-32H2,1-2H3,(H,37,41)/b22-20+,30-28+