diazanium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosakis(fluoranyl)-2-oxidanyl-14-(trifluoromethyl)pentadecyl] phosphate

Systemtic Name: diazanium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosakis(fluoranyl)-2-oxidanyl-14-(trifluoromethyl)pentadecyl] phosphate Openeye Name: diammonium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl] phosphate CAS Name: diammonium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl] phosphate IUPAC Name: diazanium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl] phosphate Traditional Name: diammonium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl] phosphate Formula: C16H14F27N2O5P MolecularWeight: 858.223407

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Descriptors Computed from Structure

Canonical SMILES:

C(C(COP(=O)([O-])[O-])O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+].[NH4+]

Isomeric SMILES

C(C(COP(=O)([O-])[O-])O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+].[NH4+]

InChI

InChI=1S/C16H8F27O5P.2H3N/c17-4(18,1-3(44)2-48-49(45,46)47)6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)13(34,35)11(30,31)9(26,27)7(22,23)5(19,15(38,39)40)16(41,42)43;;/h3,44H,1-2H2,(H2,45,46,47);2*1H3