94291-71-1 Purity
96%
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The molecular formula of the compound is C36H20F58NO6P.
The synonyms of the compound are Bis(2-hydroxyethyl)ammonium bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) phosphate and Bis(2-hydroxyethyl)ammonium bis((perfluorotetradecyl)ethyl) phosphate.
The molecular weight of the compound is 1695.4 g/mol.
The IUPAC name of the compound is bis(2-hydroxyethyl)azanium;bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl) phosphate.
The Canonical SMILES of the compound is C(COP(=O)([O-])OCCC(C(C(C(C(C(C(C(C(C(C(C(C(C(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)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(C(C(C(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)F)(F)F)(F)F)(F)F.
The InChIKey of the compound is IKMZFDJIIBQZFQ-UHFFFAOYSA-N.
The CAS number of the compound is 94291-75-5.
The compound has 3 Hydrogen Bond Donor Count.
The compound has 64 Hydrogen Bond Acceptor Count.
The Topological Polar Surface Area of the compound is 116 Ų.