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

Systemtic Name: [(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-2,3-bis[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] ester Formula: C61H108O6 MolecularWeight: 937.50662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,58H,4-16,19,22-24,29-31,34-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m1/s1