Synonyms
48209-28-5; Cuprous trifluoromethanesulfonate toluene complex; Copper(I) trifluoromethanesulfonate toluene complex; BP-12223; FT-0624054;
IUPAC Name
copper(1+);toluene;trifluoromethanesulfonate;
Molecular Weight
517.359g/mol
Molecular Formula
C9H8Cu2F6O6S2;
Canonical SMILES
CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+].[Cu+];
InChI
InChI=1S/C7H8.2CHF3O3S.2Cu/c1-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;;/h2-6H,1H3;2*(H,5,6,7);;/q;;;2*+1/p-2;
InChI Key
ATUUSMBCJWYMEG-UHFFFAOYSA-L;
Complexity
187
Covalently-Bonded Unit Count
5
Exact Mass
515.826g/mol
H-Bond Acceptor
12
Heavy Atom Count
25
Monoisotopic Mass
515.826g/mol
Topological Polar Surface Area
131A^2
