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

Systemtic Name: [(2S)-2-henicosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] (Z)-docos-13-enoate Openeye Name: [(2S)-2-henicosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(2S)-2-(1-oxoheneicosoxy)-3-[(Z)-1-oxoheptadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-henicosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [(2S)-2-heneicosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] ester Formula: C63H118O6 MolecularWeight: 971.60742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-31-29-26-23-20-17-14-11-8-5-2/h24-25,27-28,60H,4-23,26,29-59H2,1-3H3/b27-24-,28-25-/t60-/m1/s1