[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] (Z)-docos-13-enoate

Systemtic Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-3-[(Z)-1-oxohexadec-9-enoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-stearoyloxy-propyl] ester Formula: C59H110O6 MolecularWeight: 915.5011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h21,24-25,27,56H,4-20,22-23,26,28-55H2,1-3H3/b24-21-,27-25-/t56-/m1/s1