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

Systemtic Name: 2-oxidanyl-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]-2-hydroxy-tetracosanamide CAS Name: 2-hydroxy-N-[(E)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetracosanamide IUPAC Name: 2-hydroxy-N-[(E)-1,3,6-trihydroxyoctadec-4-en-2-yl]tetracosanamide Traditional Name: N-[(E)-2,5-dihydroxy-1-methylol-heptadec-3-enyl]-2-hydroxy-lignoceramide Formula: C42H83NO5 MolecularWeight: 682.11212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(47)42(48)43-39(37-44)40(46)36-35-38(45)33-31-29-27-25-14-12-10-8-6-4-2/h35-36,38-41,44-47H,3-34,37H2,1-2H3,(H,43,48)/b36-35+