2-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxohexadecoxy)-2-[(E)-1-oxooctadec-9-enoxy]propoxy]phosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-hexadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C42H83NO7P+ MolecularWeight: 745.084681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H83NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)50-40(39-49-51(46)48-37-36-43(3,4)5)38-47-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40,46H,6-19,22-39H2,1-5H3/q+1/b21-20+