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

Systemtic Name: N-[(E)-1,3-bis(oxidanyl)docos-4-en-2-yl]pentacosanamide Openeye Name: N-[(E)-2-hydroxy-1-(hydroxymethyl)henicos-3-enyl]pentacosanamide CAS Name: N-[(E)-1,3-dihydroxydocos-4-en-2-yl]pentacosanamide IUPAC Name: N-[(E)-1,3-dihydroxydocos-4-en-2-yl]pentacosanamide Traditional Name: N-[(E)-2-hydroxy-1-methylol-heneicos-3-enyl]pentacosanamide Formula: C47H93NO3 MolecularWeight: 720.24622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C47H93NO3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-27-29-31-33-35-37-39-41-43-47(51)48-45(44-49)46(50)42-40-38-36-34-32-30-28-26-20-18-16-14-12-10-8-6-4-2/h40,42,45-46,49-50H,3-39,41,43-44H2,1-2H3,(H,48,51)/b42-40+