2,7-ditert-butyl-2-(2-methylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; (diphenylmethylidene)zirconium; dichloride

Systemtic Name: 2,7-ditert-butyl-2-(2-methylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-(2-methylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride CAS Name: 2,7-ditert-butyl-2-(2-methyl-1-cyclopenta-1,3-dienyl)-1H-fluoren-1-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-(2-methylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Traditional Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-(2-methylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Formula: C80H82Cl2Zr2-4 MolecularWeight: 1296.86108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC=C1)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC1=C(CC=C1)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(CC=C1)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC1=C(CC=C1)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C27H31.2C13H10.2ClH.2Zr/c2*1-18-9-8-10-24(18)27(26(5,6)7)14-13-23-20(17-27)15-19-16-21(25(2,3)4)11-12-22(19)23;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*8-9,11-16H,10H2,1-7H3;2*1-10H;2*1H;;/q2*-1;;;;;;/p-2