1,3-di(octanoyloxy)propan-2-yl (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate

Systemtic Name: 1,3-di(octanoyloxy)propan-2-yl (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate Openeye Name: [2-octanoyloxy-1-(octanoyloxymethyl)ethyl] (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate CAS Name: (2E,4E,6E,8E,10E)-eicosa-2,4,6,8,10-pentaenoic acid 1,3-bis(1-oxooctoxy)propan-2-yl ester IUPAC Name: 1,3-di(octanoyloxy)propan-2-yl (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate Traditional Name: (2E,4E,6E,8E,10E)-eicosa-2,4,6,8,10-pentaenoic acid [2-caprylyloxy-1-(caprylyloxymethyl)ethyl] ester Formula: C39H64O6 MolecularWeight: 628.92186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC

InChI

InChI=1S/C39H64O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-27-30-33-39(42)45-36(34-43-37(40)31-28-25-11-8-5-2)35-44-38(41)32-29-26-12-9-6-3/h18-24,27,30,33,36H,4-17,25-26,28-29,31-32,34-35H2,1-3H3/b19-18+,21-20+,23-22+,27-24+,33-30+