[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]-3-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]-3-octadecanoyloxy-propyl] octadecanoate Openeye Name: [2-[2-(4-isobutylphenyl)propanoyloxy]-3-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [2-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]-3-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [2-[2-(4-isobutylphenyl)propanoyloxy]-3-stearoyloxy-propyl] ester Formula: C52H92O6 MolecularWeight: 813.28328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C52H92O6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-50(53)56-43-49(58-52(55)46(5)48-40-38-47(39-41-48)42-45(3)4)44-57-51(54)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38-41,45-46,49H,6-37,42-44H2,1-5H3