Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)ytterbium

Catalog Number	ACM18323961-1
CAS	18323-96-1
Structure
Synonyms	(Z)-6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;ytterbium(3+)
Molecular Weight	1058.6
Molecular Formula	C30H30F21O6Yb
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-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Yb+3]
InChI	InChI=1S/3C10H11F7O2.Yb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;+3/p-3/b3*5-4-;
InChI Key	KZBQCXBCJMHJOB-VNGPFPIXSA-K
Melting Point	108-111 °C
Purity	99%+
Appearance	Powder
Complexity	388
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	1059.1095726
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	27
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.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.[Yb+3]
Monoisotopic Mass	1059.1095726
Rotatable Bond Count	12
Topological Polar Surface Area	120 Ų