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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]docosanamide Openeye Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]docosanamide CAS Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide IUPAC Name: N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]docosanamide Traditional Name: N-[(E)-2-hydroxy-1-methylol-heptadec-3-enyl]behenamide Formula: C40H79NO3 MolecularWeight: 622.06016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+