[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 16-oxidanylhexadecanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 16-oxidanylhexadecanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 16-hydroxyhexadecanoate CAS Name: 16-hydroxyhexadecanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 16-hydroxyhexadecanoate Traditional Name: 16-hydroxypalmitic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C34H67NO4 MolecularWeight: 553.90008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)CCCCCCCCCCCCCCCO)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)CCCCCCCCCCCCCCCO)N)O

InChI

InChI=1S/C34H67NO4/c1-2-3-4-5-6-7-8-10-13-16-19-22-25-28-33(37)32(35)31-39-34(38)29-26-23-20-17-14-11-9-12-15-18-21-24-27-30-36/h25,28,32-33,36-37H,2-24,26-27,29-31,35H2,1H3/b28-25+