[(2R)-2-henicosanoyloxy-3-pentadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-henicosanoyloxy-3-pentadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-henicosanoyloxy-3-pentadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-(1-oxoheneicosoxy)-3-(1-oxopentadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-henicosanoyloxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-heneicosanoyloxy-3-pentadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H88NO8P MolecularWeight: 790.145181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1