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

Systemtic Name: 3-[[2-methanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxypropyl-trimethyl-azanium Openeye Name: 3-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxypropyl-trimethyl-ammonium CAS Name: 3-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxypropyl-trimethylammonium IUPAC Name: 3-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxypropyl-trimethylazanium Traditional Name: 3-[[2-formyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxypropyl-trimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-18-27-19-16-20-28(23-27)33-24-29(34-26-31)25-36-37(32)35-22-17-21-30(2,3)4/h16,19-20,23,26,29,32H,5-15,17-18,21-22,24-25H2,1-4H3/q+1