2-[[3-hexadecanoyloxy-2-[(11E,14E)-icosa-11,14-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyloxy-2-[(11E,14E)-icosa-11,14-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecanoyloxy-2-[(11E,14E)-icosa-11,14-dienoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[(11E,14E)-1-oxoeicosa-11,14-dienoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecanoyloxy-2-[(11E,14E)-icosa-11,14-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[(11E,14E)-eicosa-11,14-dienoyl]oxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H85NO8P+ MolecularWeight: 787.121361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,42H,6-13,15,17-19,22-41H2,1-5H3/p+1/b16-14+,21-20+