2-methylcyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium(4+); chloride

Systemtic Name: 2-methylcyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium(4+); chloride Openeye Name: 2-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(4+); chloride CAS Name: 2-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(4+); chloride IUPAC Name: 2-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(4+); chloride Traditional Name: 2-methylcyclopenta-1,3-diene; zirconium(4+); chloride; triflate Formula: C13H14ClF3O3SZr MolecularWeight: 433.98567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Cl-].[Zr+4]

InChI

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