(3-hexadecanoyloxy-2-octanoyloxy-propyl) (5E,8E,11Z,14E)-henicosa-5,8,11,14-tetraenoate

Systemtic Name: (3-hexadecanoyloxy-2-octanoyloxy-propyl) (5E,8E,11Z,14E)-henicosa-5,8,11,14-tetraenoate Openeye Name: (3-hexadecanoyloxy-2-octanoyloxy-propyl) (5E,8E,11Z,14E)-henicosa-5,8,11,14-tetraenoate CAS Name: (5E,8E,11Z,14E)-heneicosa-5,8,11,14-tetraenoic acid [3-(1-oxohexadecoxy)-2-(1-oxooctoxy)propyl] ester IUPAC Name: (3-hexadecanoyloxy-2-octanoyloxypropyl) (5E,8E,11Z,14E)-henicosa-5,8,11,14-tetraenoate Traditional Name: (5E,8E,11Z,14E)-heneicosa-5,8,11,14-tetraenoic acid (2-caprylyloxy-3-hexadecanoyloxy-propyl) ester Formula: C48H84O6 MolecularWeight: 757.17696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC/C=C/C/C=C/C/C=C\C/C=C/CCCCCC)OC(=O)CCCCCCC

InChI

InChI=1S/C48H84O6/c1-4-7-10-13-15-17-19-21-22-23-24-25-27-29-31-33-36-38-41-47(50)53-44-45(54-48(51)42-39-34-12-9-6-3)43-52-46(49)40-37-35-32-30-28-26-20-18-16-14-11-8-5-2/h17,19,22-23,25,27,31,33,45H,4-16,18,20-21,24,26,28-30,32,34-44H2,1-3H3/b19-17+,23-22-,27-25+,33-31+