2-tert-butylcyclopenta-1,3-diene; 3-fluoranylphenol; zirconium(2+)

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3-fluoranylphenol; zirconium(2+) Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 3-fluorophenol; zirconium(2+) CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3-fluorophenol; zirconium(2+) IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3-fluorophenol; zirconium(2+) Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 3-fluorophenol; zirconium(2+) Formula: C30H36F2O2Zr MolecularWeight: 557.826446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13.2C6H5FO.Zr/c2*1-9(2,3)8-6-4-5-7-8;2*7-5-2-1-3-6(8)4-5;/h2*4,6H,5H2,1-3H3;2*1-4,8H;/q2*-1;;;+2