Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)barium tetraglyme adduct

Catalog Number	ACM136629602-1
CAS	136629-60-2
Structure
Synonyms	Tetraglymebis(2,2,6,6-tetramethylheptane-3,5-dionato)barium
IUPAC Name	Barium(2+);1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Molecular Weight	726.1
Molecular Formula	C32H60BaO9
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].COCCOCCOCCOCCOC.[Ba+2]
InChI	InChI=1S/2C11H20O2.C10H22O5.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;/h2*7,12H,1-6H3;3-10H2,1-2H3;/q;+2/p-2/b2*8-7+;
InChI Key	YEVXHUMCDSFLLP-COYDWXKQSA-L
Melting Point	103 °C
Purity	Ba 99%
Appearance	White crystals
Complexity	603
Exact Mass	726.328981
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(/C(=C\C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C\C(=O)C(C)(C)C)/[O-])(C)C.COCCOCCOCCOCCOC.[Ba+2]
Monoisotopic Mass	726.328981
Rotatable Bond Count	20
Topological Polar Surface Area	126 Ų