N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]tetracosanamide

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]tetracosanamide Openeye Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]tetracosanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide Traditional Name: N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]lignoceramide Formula: C42H83NO3 MolecularWeight: 650.11332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+