Synonyms
149160-45-2;MFCD01073800;Bis(2,2,6,6-tetramethyl-3,5-heptane-dionato)barium triglyme adduct;bis-(2,2,6,6-Tetramethyl-3,5-heptane-dionato)barium triglyme adduct;
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
682.097g/mol
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;
Complexity
573
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
2
Exact Mass
682.303g/mol
H-Bond Acceptor
8
Heavy Atom Count
39
Monoisotopic Mass
682.303g/mol
Rotatable Bond Count
17
Topological Polar Surface Area
117A^2
