trimethyl-[2-[[(2R)-2-[(10Z,12Z)-octadeca-10,12-dienoyl]oxy-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(2R)-2-[(10Z,12Z)-octadeca-10,12-dienoyl]oxy-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(2R)-2-[(10Z,12Z)-octadeca-10,12-dienoyl]oxy-3-octadecanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-[(10Z,12Z)-1-oxooctadeca-10,12-dienoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-2-[(10Z,12Z)-octadeca-10,12-dienoyl]oxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2R)-2-[(10Z,12Z)-octadeca-10,12-dienoyl]oxy-3-stearoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H85NO8P+ MolecularWeight: 787.121361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC=CC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC/C=C\C=C/CCCCC

InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,19,21,42H,6-14,16,18,20,22-41H2,1-5H3/p+1/b17-15-,21-19-/t42-/m1/s1