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

Systemtic Name: [(2R)-2-henicosanoyloxy-3-tridecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-henicosanoyloxy-3-tridecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-(1-oxoheneicosoxy)-3-(1-oxotridecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-henicosanoyloxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-heneicosanoyloxy-3-tridecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H84NO8P MolecularWeight: 762.092021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1