Bis(2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato)barium

Catalog Number	ACM118360706
CAS	118360-70-6
Structure
Synonyms	Barium(2+);(Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate
Molecular Weight	727.68
Molecular Formula	C20H20BaF14O4
Canonical SMILES	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]
InChI	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-;
InChI Key	NCPWXEUADOWGIO-SJGYQHGCSA-L
Purity	98%
Exact Mass	728.01905
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.[Ba+2]
Monoisotopic Mass	728.01905
Rotatable Bond Count	0
Topological Polar Surface Area	80.3 Ų