[(2R)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-hexadecanoyloxy-propan-2-yl] docosanoate

Systemtic Name: [(2R)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-hexadecanoyloxy-propan-2-yl] docosanoate Openeye Name: [(1R)-1-[[(13Z,16Z)-docosa-13,16-dienoyl]oxymethyl]-2-hexadecanoyloxy-ethyl] docosanoate CAS Name: docosanoic acid [(2R)-1-[(13Z,16Z)-1-oxodocosa-13,16-dienoxy]-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-hexadecanoyloxypropan-2-yl] docosanoate Traditional Name: behenic acid [(1R)-1-[[(13Z,16Z)-docosa-13,16-dienoyl]oxymethyl]-2-hexadecanoyloxy-ethyl] ester Formula: C63H118O6 MolecularWeight: 971.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,60H,4-15,17-18,20-24,26,28-59H2,1-3H3/b19-16-,27-25-/t60-/m1/s1