[3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-oxidanyl-propyl] hexadecanoate

Systemtic Name: [3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-oxidanyl-propyl] hexadecanoate Openeye Name: [2-hydroxy-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl] hexadecanoate CAS Name: hexadecanoic acid [2-hydroxy-3-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]propyl] ester IUPAC Name: [2-hydroxy-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl] hexadecanoate Traditional Name: palmitic acid [2-hydroxy-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propyl] ester Formula: C37H69NO4 MolecularWeight: 591.94806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)CCCCCCCC=CCC=CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)CCCCCCC/C=C/C/C=C/CCCCC)O

InChI

InChI=1S/C37H69NO4/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(40)38-33-35(39)34-42-37(41)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,39H,3-10,12,14-16,19-34H2,1-2H3,(H,38,40)/b13-11+,18-17+