2-[[(2S)-3-hexadecanoyloxy-2-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-3-hexadecanoyloxy-2-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-3-hexadecanoyloxy-2-octadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S)-3-(1-oxohexadecoxy)-2-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-3-hexadecanoyloxy-2-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-hexadecanoyloxy-2-stearoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H85NO8P+ MolecularWeight: 763.099961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m0/s1