[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] docosanoate

Systemtic Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] docosanoate Openeye Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] docosanoate CAS Name: docosanoic acid [(2S)-2,3-bis[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] docosanoate Traditional Name: behenic acid [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] ester Formula: C57H106O6 MolecularWeight: 887.44794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21-/t54-/m1/s1