[(2R)-2-heptadecanoyloxy-3-hexadecanoyloxy-propyl] (Z)-docos-13-enoate

Systemtic Name: [(2R)-2-heptadecanoyloxy-3-hexadecanoyloxy-propyl] (Z)-docos-13-enoate Openeye Name: [(2R)-2-heptadecanoyloxy-3-hexadecanoyloxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2R)-2-(1-oxoheptadecoxy)-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-2-heptadecanoyloxy-3-hexadecanoyloxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2R)-2-heptadecanoyloxy-3-hexadecanoyloxy-propyl] ester Formula: C58H110O6 MolecularWeight: 903.4904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m1/s1