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

Systemtic Name: N-[(4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]-2-oxidanyl-tetracosanamide Openeye Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]tetracosanamide CAS Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxytetracosanamide IUPAC Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxytetracosanamide Traditional Name: 2-hydroxy-N-[(3E,7E)-2-hydroxy-1-methylol-heptadeca-3,7-dienyl]lignoceramide Formula: C42H81NO4 MolecularWeight: 664.09684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H81NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,34,36,39-41,44-46H,3-25,27,29-33,35,37-38H2,1-2H3,(H,43,47)/b28-26+,36-34+