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

Systemtic Name: N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-pentacosanamide Openeye Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]pentacosanamide CAS Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxypentacosanamide IUPAC Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxypentacosanamide Traditional Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-methylol-heptadeca-3,7-dienyl]pentacosanamide Formula: C43H83NO4 MolecularWeight: 678.12342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(47)43(48)44-40(39-45)41(46)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,35,37,40-42,45-47H,3-26,28,30-34,36,38-39H2,1-2H3,(H,44,48)/b29-27+,37-35+