3-butyl-1-methyl-cyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium

Systemtic Name: 3-butyl-1-methyl-cyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium Openeye Name: 3-butyl-1-methyl-cyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium CAS Name: 3-butyl-1-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium IUPAC Name: 3-butyl-1-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium Traditional Name: 3-butyl-1-methyl-cyclopenta-1,3-diene; zirconium; ditriflate Formula: C22H32F6O6S2Zr2-2 MolecularWeight: 753.054299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCC(=C1)C.CCCCC1=CCC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr].[Zr]

Isomeric SMILES

CCCCC1=CCC(=C1)C.CCCCC1=CCC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr].[Zr]

InChI

InChI=1S/2C10H16.2CHF3O3S.2Zr/c2*1-3-4-5-10-7-6-9(2)8-10;2*2-1(3,4)8(5,6)7;;/h2*7-8H,3-6H2,1-2H3;2*(H,5,6,7);;/p-2