[(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [(2S)-3-[(Z)-1-oxoheptadec-9-enoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-stearoyloxy-propyl] ester Formula: C56H106O6 MolecularWeight: 875.43724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h24,27,53H,4-23,25-26,28-52H2,1-3H3/b27-24-/t53-/m1/s1