2-[[16-(2-butanoyloxypropoxy)-16-oxidanylidene-hexadecan-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[16-(2-butanoyloxypropoxy)-16-oxidanylidene-hexadecan-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[14-(2-butanoyloxypropoxy)-1-ethyl-14-oxo-tetradecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[16-oxo-16-[2-(1-oxobutoxy)propoxy]hexadecan-3-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[16-(2-butanoyloxypropoxy)-16-oxohexadecan-3-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[14-(2-butyryloxypropoxy)-1-ethyl-14-keto-tetradecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C28H57NO8P+ MolecularWeight: 566.727841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCC(CC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCC(CC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C28H56NO8P/c1-7-19-28(31)36-25(3)24-34-27(30)21-18-16-14-12-10-9-11-13-15-17-20-26(8-2)37-38(32,33)35-23-22-29(4,5)6/h25-26H,7-24H2,1-6H3/p+1