trimethyl-[2-[[(2S)-3-[(2E)-octadeca-2,17-dienoyl]oxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(2S)-3-[(2E)-octadeca-2,17-dienoyl]oxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(2S)-3-[(2E)-octadeca-2,17-dienoyl]oxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-3-[(2E)-1-oxooctadeca-2,17-dienoxy]-2-[(2E,4E)-1-oxooctadeca-2,4-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2S)-3-[(2E)-octadeca-2,17-dienoyl]oxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2S)-3-[(2E)-octadeca-2,17-dienoyl]oxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H81NO8P+ MolecularWeight: 783.089601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC=CC(=O)OC(COC(=O)C=CCCCCCCCCCCCCCC=C)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C=C/C(=O)O[C@@H](COC(=O)/C=C/CCCCCCCCCCCCCC=C)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C44H80NO8P/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/h6,31,33-37,42H,1,7-30,32,38-41H2,2-5H3/p+1/b33-31+,36-34+,37-35+/t42-/m0/s1