2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-phenylethylidenezirconium(2+); dichloride Formula: C76H92Cl2Zr2-2 MolecularWeight: 1258.89768

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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=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C9H13.2C8H8.2ClH.2Zr/c2*1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;2*1-9(2,3)8-6-4-5-7-8;2*1-2-8-6-4-3-5-7-8;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*6-7H,4H2,1-3H3;2*3-7H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2