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

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)hexadec-4-en-2-yl]docosanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)pentadec-3-enyl]docosanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]docosanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]docosanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-pentadec-3-enyl]behenamide Formula: C38H75NO3 MolecularWeight: 594.007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCC)O

InChI

InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h31,33,36-37,40-41H,3-30,32,34-35H2,1-2H3,(H,39,42)/b33-31+/t36-,37+/m0/s1