(1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-6-oxoniumylideneoctan-4-ylidene)oxidanium;lanthanum

Catalog Number	ACM19106899-1
CAS	19106-89-9
Structure
Synonyms	(Z)-6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;lanthanum(3+)
Molecular Weight	1024.4
Molecular Formula	C30H30F21LaO6
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-].[La+3]
InChI	InChI=1S/3C10H11F7O2.La/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	JOMDRFHDFPOLDV-VNGPFPIXSA-K
Purity	99%+
Appearance	Powder
Complexity	388
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	1024.077068
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.[La+3]
Monoisotopic Mass	1024.077068
Rotatable Bond Count	12
Topological Polar Surface Area	120 Ų