[(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (Z)-icos-11-enoate

Systemtic Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (Z)-icos-11-enoate Openeye Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (Z)-icos-11-enoate CAS Name: (Z)-11-eicosenoic acid [(2S)-2-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]-3-[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-icos-11-enoate Traditional Name: (Z)-eicos-11-enoic acid [(2S)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] ester Formula: C56H100O6 MolecularWeight: 869.3896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h14,17,21,23-27,53H,4-13,15-16,18-20,22,28-52H2,1-3H3/b17-14-,24-21-,26-23-,27-25-/t53-/m1/s1