1,3-di(hexadecanoyloxy)propan-2-yl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate

Systemtic Name: 1,3-di(hexadecanoyloxy)propan-2-yl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate Openeye Name: [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate CAS Name: (5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoic acid 1,3-bis(1-oxohexadecoxy)propan-2-yl ester IUPAC Name: 1,3-di(hexadecanoyloxy)propan-2-yl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate Traditional Name: (5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoic acid [2-hexadecanoyloxy-1-(hexadecanoyloxymethyl)ethyl] ester Formula: C55H96O6 MolecularWeight: 853.34714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC

InChI

InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,28,31,37,40,52H,4-6,8-9,11-15,17-18,20-24,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7+,19-16+,26-25+,31-28+,40-37+