3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium Openeye Name: 3-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium CAS Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphoryl]propyl-trimethylammonium IUPAC Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphoryl]propyl-trimethylazanium Traditional Name: 3-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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