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

Systemtic Name: 2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxyethyl-dimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-3-(3-tridecylphenoxy)propoxy]phosphino]oxyethyl-dimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxyethyl-dimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxyethyl-dimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-19-27-20-17-21-28(24-27)34-25-29(37-30(32)18-6-2)26-36-38(33)35-23-22-31(3)4/h17,20-21,24,29,33H,5-16,18-19,22-23,25-26H2,1-4H3/p+1