2973-86-6 Purity
96%
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Specification
The molecular formula of barium fod, dihydrate is C20H20BaF14O4.
The molecular weight of barium fod, dihydrate is 727.7 g/mol.
The IUPAC name of barium fod, dihydrate is barium(2+);(Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate.
The InChI of barium fod, dihydrate is InChI=1S/2C10H11F7O2.Ba/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h2*4,18H,1-3H3;/q;;+2/p-2/b2*5-4-.
The InChIKey of barium fod, dihydrate is NCPWXEUADOWGIO-SJGYQHGCSA-L.
The canonical SMILES of barium fod, dihydrate is CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Ba+2].
The CAS number of barium fod, dihydrate is 36885-31-1.
The European Community (EC) number of barium fod, dihydrate is 635-257-3.
Barium fod, dihydrate has 10 rotatable bond counts.