N-[(E)-1,3,6-tris(oxidanyl)octadec-4-en-2-yl]tetracosanamide

Systemtic Name: N-[(E)-1,3,6-tris(oxidanyl)octadec-4-en-2-yl]tetracosanamide Openeye Name: N-[(E)-2,5-dihydroxy-1-(hydroxymethyl)heptadec-3-enyl]tetracosanamide CAS Name: N-[(E)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetracosanamide IUPAC Name: N-[(E)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetracosanamide Traditional Name: N-[(E)-2,5-dihydroxy-1-methylol-heptadec-3-enyl]lignoceramide Formula: C42H83NO4 MolecularWeight: 666.11272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CC(CCCCCCCCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-42(47)43-40(38-44)41(46)37-36-39(45)34-32-30-28-26-14-12-10-8-6-4-2/h36-37,39-41,44-46H,3-35,38H2,1-2H3,(H,43,47)/b37-36+