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

Systemtic Name: 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride CAS Name: 2,7-ditert-butyl-2-(2,3-dimethyl-1-cyclopenta-1,3-dienyl)-1H-fluoren-1-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Traditional Name: benzhydrylidenezirconium; 2,7-ditert-butyl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1H-fluoren-1-ide; dichloride Formula: C82H86Cl2Zr2-4 MolecularWeight: 1324.91424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=C1C)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC1=CCC(=C1C)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=CCC(=C1C)C2(C=CC3=C4C=CC(=CC4=CC3=[C-]2)C(C)(C)C)C(C)(C)C.CC1=CCC(=C1C)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/2C28H33.2C13H10.2ClH.2Zr/c2*1-18-9-12-25(19(18)2)28(27(6,7)8)14-13-24-21(17-28)15-20-16-22(26(3,4)5)10-11-23(20)24;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*9-11,13-16H,12H2,1-8H3;2*1-10H;2*1H;;/q2*-1;;;;;;/p-2