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

Systemtic Name: 2-[[2-methanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H51NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-19-27(22-26)32-23-28(33-25-30)24-35-36(31)34-21-20-29(2,3)4/h16,18-19,22,25,28,31H,5-15,17,20-21,23-24H2,1-4H3/q+1