iron; 2,2,2-tris(fluoranyl)ethane-1,1-diol; tetrahydrate

Systemtic Name: iron; 2,2,2-tris(fluoranyl)ethane-1,1-diol; tetrahydrate Openeye Name: iron; 2,2,2-trifluoroethane-1,1-diol; tetrahydrate CAS Name: iron; 2,2,2-trifluoroethane-1,1-diol; tetrahydrate IUPAC Name: iron; 2,2,2-trifluoroethane-1,1-diol; tetrahydrate Traditional Name: iron; 2,2,2-trifluoroethane-1,1-diol; tetrahydrate Formula: C12H26F18Fe3O16 MolecularWeight: 935.831498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.O.O.O.O.[Fe].[Fe].[Fe]

Isomeric SMILES

C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.C(C(F)(F)F)(O)O.O.O.O.O.[Fe].[Fe].[Fe]

InChI

InChI=1S/6C2H3F3O2.3Fe.4H2O/c6*3-2(4,5)1(6)7;;;;;;;/h6*1,6-7H;;;;4*1H2