2-tert-butylcyclopenta-1,3-diene; 4-fluoranylphenol; zirconium

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 4-fluoranylphenol; zirconium Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 4-fluorophenol; zirconium CAS Name: 2-tert-butylcyclopenta-1,3-diene; 4-fluorophenol; zirconium IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 4-fluorophenol; zirconium Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 4-fluorophenol; zirconium Formula: C21H23F2O2Zr- MolecularWeight: 436.626926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC[C-]=C1.C1=CC(=CC=C1O)F.C1=CC(=CC=C1O)F.[Zr]

Isomeric SMILES

CC(C)(C)C1=CC[C-]=C1.C1=CC(=CC=C1O)F.C1=CC(=CC=C1O)F.[Zr]

InChI

InChI=1S/C9H13.2C6H5FO.Zr/c1-9(2,3)8-6-4-5-7-8;2*7-5-1-3-6(8)4-2-5;/h6-7H,4H2,1-3H3;2*1-4,8H;/q-1;;;