cyclopenta-1,3-diene; 2,6-di(propan-2-yl)phenolate; zirconium(2+); chloride

Systemtic Name: cyclopenta-1,3-diene; 2,6-di(propan-2-yl)phenolate; zirconium(2+); chloride Openeye Name: cyclopenta-1,3-diene; 2,6-diisopropylphenolate; zirconium(2+); chloride CAS Name: cyclopenta-1,3-diene; 2,6-di(propan-2-yl)phenolate; zirconium(2+); chloride IUPAC Name: cyclopenta-1,3-diene; 2,6-di(propan-2-yl)phenolate; zirconium(2+); chloride Traditional Name: cyclopenta-1,3-diene; 2,6-diisopropylphenolate; zirconium(2+); chloride Formula: C22H27ClOZr-2 MolecularWeight: 434.12618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Zr+2]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Zr+2]

InChI

InChI=1S/C12H18O.2C5H5.ClH.Zr/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-2-4-5-3-1;;/h5-9,13H,1-4H3;2*1-3H,4H2;1H;/q;2*-1;;+2/p-2