[(2R)-3-hexadecanoyloxy-2-octadecanoyloxy-propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

Systemtic Name: [(2R)-3-hexadecanoyloxy-2-octadecanoyloxy-propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate Openeye Name: [(2R)-3-hexadecanoyloxy-2-octadecanoyloxy-propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate CAS Name: (10Z,13Z,16Z)-docosa-10,13,16-trienoic acid [(2R)-3-(1-oxohexadecoxy)-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate Traditional Name: (10Z,13Z,16Z)-docosa-10,13,16-trienoic acid [(2R)-3-hexadecanoyloxy-2-stearoyloxy-propyl] ester Formula: C59H108O6 MolecularWeight: 913.48522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,56H,4-15,17-18,20-24,26,28,31-55H2,1-3H3/b19-16-,27-25-,30-29-/t56-/m1/s1