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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)icos-4-en-2-yl]-2-oxidanyl-tetracosanamide Openeye Name: 2-hydroxy-N-[(E)-2-hydroxy-1-(hydroxymethyl)nonadec-3-enyl]tetracosanamide CAS Name: N-[(E)-1,3-dihydroxyeicos-4-en-2-yl]-2-hydroxytetracosanamide IUPAC Name: N-[(E)-1,3-dihydroxyicos-4-en-2-yl]-2-hydroxytetracosanamide Traditional Name: 2-hydroxy-N-[(E)-2-hydroxy-1-methylol-nonadec-3-enyl]lignoceramide Formula: C44H87NO4 MolecularWeight: 694.16588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C=CCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C44H87NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h36,38,41-43,46-48H,3-35,37,39-40H2,1-2H3,(H,45,49)/b38-36+