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

Systemtic Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3-tert-butylphenol; 2,5-dimethylcyclopenta-1,3-diene; zirconium(2+) Formula: C34H46O2Zr MolecularWeight: 577.95184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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