Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)samarium(III)

Catalog Number	ACM15492509-2
CAS	15492-50-9
Structure
Synonyms	Samarium tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
IUPAC Name	(Z)-5-Hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;samarium
Molecular Weight	703.2
Molecular Formula	C33H60O6Sm
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Sm]
InChI	InChI=1S/3C11H20O2.Sm/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key	NDCAZNNQOPBNMH-LWTKGLMZSA-N
Boiling Point	250 °C
Melting Point	191-193 °C
Purity	Sm 99%
Appearance	Pale yellow crystal
Complexity	801
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	704.35873
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
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.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Sm]
Monoisotopic Mass	704.35873
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų