cyclopenta-1,3-diene; 3-(trifluoromethylsulfonyl)phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-(trifluoromethylsulfonyl)phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 3-(trifluoromethylsulfonyl)phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3-(trifluoromethylsulfonyl)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3-(trifluoromethylsulfonyl)phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 3-triflylphenol; zirconium(2+) Formula: C24H20F6O6S2Zr MolecularWeight: 673.756419

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)O.C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)O.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)O.C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)O.[Zr+2]

InChI

InChI=1S/2C7H5F3O3S.2C5H5.Zr/c2*8-7(9,10)14(12,13)6-3-1-2-5(11)4-6;2*1-2-4-5-3-1;/h2*1-4,11H;2*1-3H,4H2;/q;;2*-1;+2