2-[[3-hexadecanoyloxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyloxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecanoyloxy-2-(4-hydroxy-4-oxo-butanoyl)oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(4-hydroxy-1,4-dioxobutoxy)-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecanoyloxy-2-(4-hydroxy-4-oxobutanoyl)oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-hexadecanoyloxy-2-(4-hydroxy-4-keto-butanoyl)oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H55NO10P+ MolecularWeight: 596.710761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(32)36-23-25(39-28(33)20-19-26(30)31)24-38-40(34,35)37-22-21-29(2,3)4/h25H,5-24H2,1-4H3,(H-,30,31,34,35)/p+1