2-azaniumylethyl [3-hexadecanoyloxy-2-[(8E,11E)-octadeca-8,11-dienoyl]oxy-propyl] phosphate

Systemtic Name: 2-azaniumylethyl [3-hexadecanoyloxy-2-[(8E,11E)-octadeca-8,11-dienoyl]oxy-propyl] phosphate Openeye Name: 2-azaniumylethyl [3-hexadecanoyloxy-2-[(8E,11E)-octadeca-8,11-dienoyl]oxy-propyl] phosphate CAS Name: 2-ammonioethyl [3-(1-oxohexadecoxy)-2-[(8E,11E)-1-oxooctadeca-8,11-dienoxy]propyl] phosphate IUPAC Name: 2-azaniumylethyl [3-hexadecanoyloxy-2-[(8E,11E)-octadeca-8,11-dienoyl]oxypropyl] phosphate Traditional Name: 2-ammonioethyl [3-hexadecanoyloxy-2-[(8E,11E)-octadeca-8,11-dienoyl]oxy-propyl] phosphate Formula: C39H74NO8P MolecularWeight: 715.980521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCC/C=C/C/C=C/CCCCCC

InChI

InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,18,20,37H,3-12,14,16-17,19,21-36,40H2,1-2H3,(H,43,44)/b15-13+,20-18+