3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium Openeye Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium CAS Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium Traditional Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium Formula: C27H37O2Zr- MolecularWeight: 484.80548

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=CC(=C1)C.CC(C)(C)C1=CC(=CC=C1)O.CC(C)(C)C1=CC(=CC=C1)O.[Zr]

Isomeric SMILES

C[C-]1C=CC(=C1)C.CC(C)(C)C1=CC(=CC=C1)O.CC(C)(C)C1=CC(=CC=C1)O.[Zr]

InChI

InChI=1S/2C10H14O.C7H9.Zr/c2*1-10(2,3)8-5-4-6-9(11)7-8;1-6-3-4-7(2)5-6;/h2*4-7,11H,1-3H3;3-5H,1-2H3;/q;;-1;