2-azaniumylethyl (3-hexadecanoyloxy-2-oxidanyl-propyl) phosphate

Systemtic Name: 2-azaniumylethyl (3-hexadecanoyloxy-2-oxidanyl-propyl) phosphate Openeye Name: 2-azaniumylethyl (3-hexadecanoyloxy-2-hydroxy-propyl) phosphate CAS Name: 2-ammonioethyl [2-hydroxy-3-(1-oxohexadecoxy)propyl] phosphate IUPAC Name: 2-azaniumylethyl (3-hexadecanoyloxy-2-hydroxypropyl) phosphate Traditional Name: 2-ammonioethyl (3-hexadecanoyloxy-2-hydroxy-propyl) phosphate Formula: C21H44NO7P MolecularWeight: 453.550321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O

InChI

InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)