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

Systemtic Name: 2-methylcyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium(2+) Openeye Name: 2-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) CAS Name: 2-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) IUPAC Name: 2-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) Traditional Name: 2-methylcyclopenta-1,3-diene; zirconium(2+); ditriflate Formula: C14H14F6O6S2Zr-2 MolecularWeight: 547.601779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2]

InChI

InChI=1S/2C6H7.2CHF3O3S.Zr/c2*1-6-4-2-3-5-6;2*2-1(3,4)8(5,6)7;/h2*2,4H,3H2,1H3;2*(H,5,6,7);/q2*-1;;;+2/p-2