2,6-di(propan-2-yl)phenol; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium; dichloride

Systemtic Name: 2,6-di(propan-2-yl)phenol; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium; dichloride Openeye Name: 2,6-diisopropylphenol; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium; dichloride CAS Name: 2,6-di(propan-2-yl)phenol; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium; dichloride IUPAC Name: 2,6-di(propan-2-yl)phenol; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium; dichloride Traditional Name: 2,6-diisopropylphenol; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium; dichloride Formula: C44H66Cl2O2Zr2-4 MolecularWeight: 880.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.[Cl-].[Cl-].[Zr].[Zr]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.[Cl-].[Cl-].[Zr].[Zr]

InChI

InChI=1S/2C12H18O.2C10H15.2ClH.2Zr/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-7-6-10(4,5)9(3)8(7)2;;;;/h2*5-9,13H,1-4H3;2*1-5H3;2*1H;;/q;;2*-1;;;;/p-2