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

Systemtic Name: 1-methyl-3-propyl-cyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium Openeye Name: 1-methyl-3-propyl-cyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium CAS Name: 1-methyl-3-propylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium IUPAC Name: 1-methyl-3-propylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium Traditional Name: 1-methyl-3-propyl-cyclopenta-1,3-diene; zirconium; ditriflate Formula: C20H28F6O6S2Zr-2 MolecularWeight: 633.777139

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CCC(=C1)C.CCCC1=CCC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr]

Isomeric SMILES

CCCC1=CCC(=C1)C.CCCC1=CCC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr]

InChI

InChI=1S/2C9H14.2CHF3O3S.Zr/c2*1-3-4-9-6-5-8(2)7-9;2*2-1(3,4)8(5,6)7;/h2*6-7H,3-5H2,1-2H3;2*(H,5,6,7);/p-2