[3-[(E)-docos-13-enoyl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-docos-13-enoate

Systemtic Name: [3-[(E)-docos-13-enoyl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-docos-13-enoate Openeye Name: [3-[(E)-docos-13-enoyl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid [3-[(E)-1-oxodocos-13-enoxy]-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-[(E)-docos-13-enoyl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid [3-[(E)-docos-13-enoyl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C65H120O6 MolecularWeight: 997.6447

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h25-29,36,62H,4-24,30-35,37-61H2,1-3H3/b28-25+,29-26+,36-27+