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

Systemtic Name: 3-ethyl-1-methyl-cyclopenta-1,3-diene; tris(fluoranyl)methanesulfonate; zirconium Openeye Name: 3-ethyl-1-methyl-cyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium CAS Name: 3-ethyl-1-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium IUPAC Name: 3-ethyl-1-methylcyclopenta-1,3-diene; trifluoromethanesulfonate; zirconium Traditional Name: 3-ethyl-1-methyl-cyclopenta-1,3-diene; zirconium; ditriflate Formula: C18H24F6O6S2Zr-2 MolecularWeight: 605.723979

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC(=C1)C.CCC1=CCC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr]

Isomeric SMILES

CCC1=CCC(=C1)C.CCC1=CCC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zr]

InChI

InChI=1S/2C8H12.2CHF3O3S.Zr/c2*1-3-8-5-4-7(2)6-8;2*2-1(3,4)8(5,6)7;/h2*5-6H,3-4H2,1-2H3;2*(H,5,6,7);/p-2