2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-3-(3-tridecylphenoxy)propoxy]phosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CCC

InChI

InChI=1S/C31H57NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-20-28-21-18-22-29(25-28)35-26-30(38-31(33)19-7-2)27-37-39(34)36-24-23-32(3,4)5/h18,21-22,25,30,34H,6-17,19-20,23-24,26-27H2,1-5H3/q+1