cyclopenta-1,3-diene; 2,6-ditert-butylphenol; zirconium; dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenol; zirconium; dichloride Openeye Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenol; zirconium; dichloride CAS Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenol; zirconium; dichloride IUPAC Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenol; zirconium; dichloride Traditional Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenol; zirconium; dichloride Formula: C19H27Cl2OZr-3 MolecularWeight: 433.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr]

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr]

InChI

InChI=1S/C14H22O.C5H5.2ClH.Zr/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2-4-5-3-1;;;/h7-9,15H,1-6H3;1-3H,4H2;2*1H;/q;-1;;;/p-2