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

Systemtic Name: 2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-dimethylazanium Traditional Name: 2-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-dimethyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-19-27(22-26)32-23-28(35-25(2)30)24-34-36(31)33-21-20-29(3)4/h16,18-19,22,28,31H,5-15,17,20-21,23-24H2,1-4H3/p+1