2,3-dimethylcyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium(2+)

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium(2+) Openeye Name: 2,3-dimethylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) CAS Name: 2,3-dimethylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) Traditional Name: 2,3-dimethylcyclopenta-1,3-diene; zirconium(2+); ditriflate Formula: C16H18F6O6S2Zr2 MolecularWeight: 666.878939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC[C-]=C1C.CC1=CC[C-]=C1C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C7H9.2CHF3O3S.2Zr/c2*1-6-4-3-5-7(6)2;2*2-1(3,4)8(5,6)7;;/h2*4H,3H2,1-2H3;2*(H,5,6,7);;/q2*-1;;;2*+2/p-2