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

Systemtic Name: 2-[[2-(2-ethylhexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(2-ethylhexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(2-ethyl-1-oxohexoxy)-3-[(E)-1-oxooctadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(2-ethylhexanoyloxy)-3-[(E)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(2-ethylhexanoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C34H67NO8P+ MolecularWeight: 648.871441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CC)CCCC

InChI

InChI=1S/C34H66NO8P/c1-7-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-33(36)40-29-32(43-34(37)31(9-3)25-11-8-2)30-42-44(38,39)41-28-27-35(4,5)6/h17-18,31-32H,7-16,19-30H2,1-6H3/p+1/b18-17+