2-[[2-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[(E)-docos-13-enoyl]oxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[(E)-docos-13-enoyl]oxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-hydroxy-2-[(E)-1-oxodocos-13-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-[(E)-docos-13-enoyl]oxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[(E)-docos-13-enoyl]oxy-3-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C30H61NO7P+ MolecularWeight: 578.781601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C30H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)38-29(27-32)28-37-39(34,35)36-26-25-31(2,3)4/h12-13,29,32H,5-11,14-28H2,1-4H3/p+1/b13-12+