2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride

Systemtic Name: 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride Openeye Name: 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; isopropylidenezirconium; dichloride CAS Name: 2-(2-tert-butyl-1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride IUPAC Name: 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; dichloride Traditional Name: 2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide; isopropylidenezirconium; dichloride Formula: C50H54Cl2Zr2-4 MolecularWeight: 908.31776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.CC(=[Zr])C.CC(C)(C)C1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CC(C)(C)C1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr])C.CC(=[Zr])C.CC(C)(C)C1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.CC(C)(C)C1=C(CC=C1)C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-]

InChI

InChI=1S/2C22H21.2C3H6.2ClH.2Zr/c2*1-22(2,3)21-10-6-9-20(21)16-11-12-19-17(14-16)13-15-7-4-5-8-18(15)19;2*1-3-2;;;;/h2*4-8,10-12H,9,13H2,1-3H3;2*1-2H3;2*1H;;/q2*-1;;;;;;/p-2