4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium

Systemtic Name: 4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxybutyl-dimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-19-28-20-18-21-29(24-28)34-25-30(37-27(2)32)26-36-38(33)35-23-17-16-22-31(3)4/h18,20-21,24,30,33H,5-17,19,22-23,25-26H2,1-4H3/p+1