[(2R)-1-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propan-2-yl] (Z)-octadec-9-enoate

Systemtic Name: [(2R)-1-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propan-2-yl] (Z)-octadec-9-enoate Openeye Name: [(1R)-1-(hexadecanoyloxymethyl)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2R)-1-(1-oxohexadecoxy)-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propan-2-yl] ester IUPAC Name: [(2R)-1-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(1R)-1-(hexadecanoyloxymethyl)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-ethyl] ester Formula: C55H100O6 MolecularWeight: 857.3789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,52H,4-15,17-18,20-24,29-51H2,1-3H3/b19-16-,27-25-,28-26-/t52-/m1/s1