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

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]hexacosanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexacosanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexacosanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexacosanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]cerotamide Formula: C44H87NO3 MolecularWeight: 678.16648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46-47H,3-36,38,40-41H2,1-2H3,(H,45,48)/b39-37+/t42-,43+/m0/s1