3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxypropyl-dimethyl-azanium

Systemtic Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxypropyl-dimethyl-azanium Openeye Name: 3-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxypropyl-dimethyl-ammonium CAS Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxypropyl-dimethylammonium IUPAC Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxypropyl-dimethylazanium Traditional Name: 3-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxypropyl-dimethyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-18-27-19-16-20-28(23-27)33-24-29(36-26(2)31)25-35-37(32)34-22-17-21-30(3)4/h16,19-20,23,29,32H,5-15,17-18,21-22,24-25H2,1-4H3/p+1