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

Systemtic Name: [3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate Openeye Name: [3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-(1-oxohexadecoxy)-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropyl] octadecanoate Traditional Name: stearic acid [3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C55H104O6 MolecularWeight: 861.41066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26+