2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] phosphate

Systemtic Name: 2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] phosphate Openeye Name: 2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] phosphate CAS Name: 2-ammonioethyl [3-(1-oxodocosoxy)-2-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]propyl] phosphate IUPAC Name: 2-azaniumylethyl [3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] phosphate Traditional Name: 2-ammonioethyl [3-docosanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] phosphate Formula: C45H84NO8P MolecularWeight: 798.124121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H84NO8P/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/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-