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

Catalog Number	ACM149160452-1
CAS	149160-45-2
Structure
Synonyms	Barium(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
IUPAC Name	Barium(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Molecular Weight	682.1
Molecular Formula	C30H56BaO8
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].COCCOCCOCCOC.[Ba+2]
InChI	InChI=1S/2C11H20O2.C8H18O4.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-9-3-5-11-7-8-12-6-4-10-2;/h2*7,12H,1-6H3;3-8H2,1-2H3;/q;+2/p-2/b2*8-7+;
InChI Key	YTNLOLOFSZXOQX-COYDWXKQSA-L
Melting Point	88 °C
Purity	Ba 99%
Appearance	Off-white powder
Complexity	573
Exact Mass	682.302766
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	8
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.COCCOCCOCCOC.[Ba+2]
Monoisotopic Mass	682.302766
Rotatable Bond Count	17
Topological Polar Surface Area	117 Ų