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

Systemtic Name: 2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate Openeye Name: 2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate CAS Name: 2-ammonioethyl [3-(1-oxodocosoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] phosphate IUPAC Name: 2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate Traditional Name: 2-ammonioethyl [3-docosanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] phosphate Formula: C45H86NO8P MolecularWeight: 800.140001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,43H,3-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-