cyclopenta-1,3-diene; 2,6-ditert-butylphenolate; zirconium(2+); chloride

Systemtic Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenolate; zirconium(2+); chloride Openeye Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenolate; zirconium(2+); chloride CAS Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenolate; zirconium(2+); chloride IUPAC Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenolate; zirconium(2+); chloride Traditional Name: cyclopenta-1,3-diene; 2,6-ditert-butylphenolate; zirconium(2+); chloride Formula: C24H31ClOZr-2 MolecularWeight: 462.17934

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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.C1C=CC=[C-]1.[Cl-].[Zr+2]

Isomeric SMILES

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

InChI

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