1,2-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride

Systemtic Name: 1,2-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Openeye Name: 1,2-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride CAS Name: 1,2-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride IUPAC Name: 1,2-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Traditional Name: 1,2-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Formula: C60H72Cl2Zr2-2 MolecularWeight: 1046.56768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(C)(C)C1=C(C=[C-]C1)C(C)(C)C.CC(C)(C)C1=C(C=[C-]C1)C(C)(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(C)(C)C1=C(C=[C-]C1)C(C)(C)C.CC(C)(C)C1=C(C=[C-]C1)C(C)(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/2C13H21.2C9H7.2C8H8.2ClH.2Zr/c2*1-12(2,3)10-8-7-9-11(10)13(4,5)6;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-8-6-4-3-5-7-8;;;;/h2*8H,9H2,1-6H3;2*1-7H;2*3-7H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2