[(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] (Z)-docos-13-enoate

Systemtic Name: [(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-2-(1-oxoeicosoxy)-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-2-eicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C63H116O6 MolecularWeight: 969.59154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,34,60H,4-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b21-18-,28-25-,34-27-/t60-/m1/s1