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

Systemtic Name: N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-henicosanamide Openeye Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]henicosanamide CAS Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyheneicosanamide IUPAC Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxyhenicosanamide Traditional Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-methylol-heptadeca-3,7-dienyl]heneicosanamide Formula: C39H75NO4 MolecularWeight: 622.0171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H75NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(43)39(44)40-36(35-41)37(42)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h23,25,31,33,36-38,41-43H,3-22,24,26-30,32,34-35H2,1-2H3,(H,40,44)/b25-23+,33-31+