Gadolinium(III) trifluoromethanesulfonate

Catalog Number	ACM52093295-1
CAS	52093-29-5
Structure
Synonyms	Gadolinium(3+);trifluoromethanesulfonate
IUPAC Name	gadolinium(3+);trifluoromethanesulfonate;
Molecular Weight	604.5
Molecular Formula	C3F9GdO9S3
Canonical SMILES	C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Gd+3]
InChI	InChI=1S/3CHF3O3S.Gd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;+3/p-3
InChI Key	DYOBTPTUHDTANY-UHFFFAOYSA-K
Purity	98%
Appearance	Powder
Complexity	145
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	604.78018
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	0
Monoisotopic Mass	604.78018
Rotatable Bond Count	0
Topological Polar Surface Area	197 Ų