[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] (Z)-docos-13-enoate

Systemtic Name: [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] (Z)-docos-13-enoate Openeye Name: [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2R)-2-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]-3-(1-oxoheptadecoxy)propyl] ester IUPAC Name: [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-heptadecanoyloxy-propyl] ester Formula: C59H108O6 MolecularWeight: 913.48522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC

InChI

InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,56H,4-14,16-17,19-23,26,29-55H2,1-3H3/b18-15-,27-24-,28-25-/t56-/m1/s1