[4-[di(octadecanoyloxy)methyl]-2-octadecanoyloxy-phenyl] octadecanoate

Systemtic Name: [4-[di(octadecanoyloxy)methyl]-2-octadecanoyloxy-phenyl] octadecanoate Openeye Name: [4-[di(octadecanoyloxy)methyl]-2-octadecanoyloxy-phenyl] octadecanoate CAS Name: octadecanoic acid [4-[bis(1-oxooctadecoxy)methyl]-2-(1-oxooctadecoxy)phenyl] ester IUPAC Name: [4-[di(octadecanoyloxy)methyl]-2-octadecanoyloxyphenyl] octadecanoate Traditional Name: stearic acid [4-(distearoyloxymethyl)-2-stearoyloxy-phenyl] ester Formula: C79H144O8 MolecularWeight: 1221.98386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C79H144O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-75(80)84-73-70-69-72(71-74(73)85-76(81)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)79(86-77(82)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)87-78(83)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h69-71,79H,5-68H2,1-4H3