[(2R)-2-octadecanoyloxy-3-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate

Systemtic Name: [(2R)-2-octadecanoyloxy-3-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate Openeye Name: [(2R)-2-octadecanoyloxy-3-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2R)-3-[(E)-1-oxooctadec-9-enoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2R)-2-octadecanoyloxy-3-[(E)-octadec-9-enoyl]oxypropyl] octadecanoate Traditional Name: stearic acid [(2R)-3-[(E)-octadec-9-enoyl]oxy-2-stearoyloxy-propyl] ester Formula: C57H108O6 MolecularWeight: 889.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,28,54H,4-24,26-27,29-53H2,1-3H3/b28-25+/t54-/m0/s1