[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] hexadecanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] hexadecanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] hexadecanoate Traditional Name: palmitic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C34H67NO3 MolecularWeight: 537.90068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(C=CCCCCCCCCCCCCC)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C(/C=C/CCCCCCCCCCCCC)O)N

InChI

InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(35)31-38-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31,35H2,1-2H3/b29-27+