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

Systemtic Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-oxidanyl-phosphanyl]oxypropyl-trimethyl-azanium Openeye Name: 3-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphanyl]oxypropyl-trimethyl-ammonium CAS Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphino]oxypropyl-trimethylammonium IUPAC Name: 3-[[2-acetyloxy-3-(3-tridecylphenoxy)propoxy]-hydroxyphosphanyl]oxypropyl-trimethylazanium Traditional Name: 3-[[2-acetoxy-3-(3-tridecylphenoxy)propoxy]-hydroxy-phosphino]oxypropyl-trimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-19-28-20-17-21-29(24-28)34-25-30(37-27(2)32)26-36-38(33)35-23-18-22-31(3,4)5/h17,20-21,24,30,33H,6-16,18-19,22-23,25-26H2,1-5H3/q+1