2-azaniumylethyl [3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate

Systemtic Name: 2-azaniumylethyl [3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate Openeye Name: 2-azaniumylethyl [3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate CAS Name: 2-ammonioethyl [3-(1-oxoeicosoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] phosphate IUPAC Name: 2-azaniumylethyl [3-icosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate Traditional Name: 2-ammonioethyl [3-eicosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate Formula: C43H82NO8P MolecularWeight: 772.086841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C43H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,41H,3-11,13,15-17,19-20,22-40,44H2,1-2H3,(H,47,48)/b14-12-,21-18-