2-(dimethylazaniumyl)ethyl [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxy-propyl] phosphate

Systemtic Name: 2-(dimethylazaniumyl)ethyl [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxy-propyl] phosphate Openeye Name: 2-(dimethylammonio)ethyl [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxy-propyl] phosphate CAS Name: 2-(dimethylammonio)ethyl [(2R)-3-octadecoxy-2-[(Z)-1-oxooctadec-11-enoxy]propyl] phosphate IUPAC Name: 2-(dimethylazaniumyl)ethyl [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-octadecoxypropyl] phosphate Traditional Name: 2-(dimethylammonio)ethyl [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-stearyloxy-propyl] phosphate Formula: C43H86NO7P MolecularWeight: 760.119201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[NH+](C)C)OC(=O)CCCCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[NH+](C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C43H86NO7P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44(3)4)51-43(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h16,18,42H,5-15,17,19-41H2,1-4H3,(H,46,47)/b18-16-/t42-/m1/s1