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

Systemtic Name: 2-butylcyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); ditriflate Formula: C20H26F6O6S2Zr-2 MolecularWeight: 631.761259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr+2]

InChI

InChI=1S/2C9H13.2CHF3O3S.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*2-1(3,4)8(5,6)7;/h2*4,7H,2-3,5-6H2,1H3;2*(H,5,6,7);/q2*-1;;;+2/p-2