[2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] octadecanoate Openeye Name: [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-stearoyloxy-propyl] ester Formula: C57H106O6 MolecularWeight: 887.44794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,54H,4-17,19-20,22-26,28-29,31-53H2,1-3H3/b21-18+,30-27+