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

Systemtic Name: 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride CAS Name: 2,7-ditert-butyl-2-(1-cyclopenta-1,3-dienyl)-1H-fluoren-1-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride Traditional Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide; dichloride Formula: C78H78Cl2Zr2-4 MolecularWeight: 1268.80792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)C(C)(C)C.CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)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

CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)C(C)(C)C.CC(C)(C)C1=CC2=CC3=[C-]C(C=CC3=C2C=C1)(C4=CC=CC4)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/2C26H29.2C13H10.2ClH.2Zr/c2*1-24(2,3)21-11-12-22-18(16-21)15-19-17-26(25(4,5)6,14-13-23(19)22)20-9-7-8-10-20;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*7-9,11-16H,10H2,1-6H3;2*1-10H;2*1H;;/q2*-1;;;;;;/p-2