1,3-dimethylcyclopenta-1,3-diene; 4-fluoranyl-2-methyl-phenol; zirconium

Systemtic Name: 1,3-dimethylcyclopenta-1,3-diene; 4-fluoranyl-2-methyl-phenol; zirconium Openeye Name: 1,3-dimethylcyclopenta-1,3-diene; 4-fluoro-2-methyl-phenol; zirconium CAS Name: 1,3-dimethylcyclopenta-1,3-diene; 4-fluoro-2-methylphenol; zirconium IUPAC Name: 1,3-dimethylcyclopenta-1,3-diene; 4-fluoro-2-methylphenol; zirconium Traditional Name: 1,3-dimethylcyclopenta-1,3-diene; 4-fluoro-2-methyl-phenol; zirconium Formula: C28H34F2O2Zr MolecularWeight: 531.789166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC1)C.CC1=CC(=CC1)C.CC1=C(C=CC(=C1)F)O.CC1=C(C=CC(=C1)F)O.[Zr]

Isomeric SMILES

CC1=CC(=CC1)C.CC1=CC(=CC1)C.CC1=C(C=CC(=C1)F)O.CC1=C(C=CC(=C1)F)O.[Zr]

InChI

InChI=1S/2C7H7FO.2C7H10.Zr/c2*1-5-4-6(8)2-3-7(5)9;2*1-6-3-4-7(2)5-6;/h2*2-4,9H,1H3;2*3,5H,4H2,1-2H3;