[(2R)-3-docosa-9,11-diynoyloxy-2-tricosa-10,12-diynoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-3-docosa-9,11-diynoyloxy-2-tricosa-10,12-diynoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-3-docosa-9,11-diynoyloxy-2-tricosa-10,12-diynoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-3-(1-oxodocosa-9,11-diynoxy)-2-(1-oxotricosa-10,12-diynoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-3-docosa-9,11-diynoyloxy-2-tricosa-10,12-diynoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-3-docosa-9,11-diynoyloxy-2-tricosa-10,12-diynoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C53H90NO8P MolecularWeight: 900.257361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC#CC#CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC#CC#CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C53H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-53(56)62-51(50-61-63(57,58)60-48-47-54(3,4)5)49-59-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h51H,6-23,32-50H2,1-5H3/t51-/m1/s1