2-[[2-hexadecanoyloxy-3-[(E)-octadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-hexadecanoyloxy-3-[(E)-octadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-hexadecanoyloxy-3-[(E)-octadec-9-enoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-[(E)-octadec-9-enoxy]-2-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-hexadecanoyloxy-3-[(E)-octadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-hexadecanoyloxy-3-[(E)-octadec-9-enoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H85NO7P+ MolecularWeight: 747.100561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h20-21,41H,6-19,22-40H2,1-5H3/p+1/b21-20+