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

Systemtic Name: N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-hexacosanamide Openeye Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]hexacosanamide CAS Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyhexacosanamide IUPAC Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyhexacosanamide Traditional Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-methylol-heptadeca-3,7-dienyl]cerotamide Formula: C44H85NO4 MolecularWeight: 692.15

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h28,30,36,38,41-43,46-48H,3-27,29,31-35,37,39-40H2,1-2H3,(H,45,49)/b30-28+,38-36+