2-tert-butylcyclopenta-1,3-diene; 1-tert-butylinden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 1-tert-butylinden-1-ide; zirconium(2+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 1-tert-butylinden-1-ide; zirconium(2+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 1-tert-butylinden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 1-tert-butylinden-1-ide; zirconium(2+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 1-tert-butylinden-1-ide; zirconium(2+); dichloride Formula: C44H56Cl2Zr2-2 MolecularWeight: 838.26944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C-]1C=CC2=CC=CC=C12.CC(C)(C)[C-]1C=CC2=CC=CC=C12.CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)[C-]1C=CC2=CC=CC=C12.CC(C)(C)[C-]1C=CC2=CC=CC=C12.CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C13H15.2C9H13.2ClH.2Zr/c2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;2*1-9(2,3)8-6-4-5-7-8;;;;/h2*4-9H,1-3H3;2*4,6H,5H2,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2