[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] (Z)-icos-11-enoate

Systemtic Name: [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] (Z)-icos-11-enoate Openeye Name: [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] (Z)-icos-11-enoate CAS Name: (Z)-11-eicosenoic acid [(2R)-2-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]-3-(1-oxoheptadecoxy)propyl] ester IUPAC Name: [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxypropyl] (Z)-icos-11-enoate Traditional Name: (Z)-eicos-11-enoic acid [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] ester Formula: C57H104O6 MolecularWeight: 885.43206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC

InChI

InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-27-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,54H,4-14,16-17,19-23,26,29-53H2,1-3H3/b18-15-,27-24-,28-25-/t54-/m1/s1