[3-hexadecanoyloxy-2-[(Z)-icos-11-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-[(Z)-icos-11-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[(Z)-icos-11-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[(Z)-1-oxoeicos-11-enoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[(Z)-icos-11-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[(Z)-eicos-11-enoyl]oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H86NO8P MolecularWeight: 788.129301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,42H,6-19,22-41H2,1-5H3/b21-20-