3,6-ditert-butyl-1-(3-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; (diphenylmethylidene)zirconium; dichloride

Systemtic Name: 3,6-ditert-butyl-1-(3-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 3,6-ditert-butyl-1-(3-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride CAS Name: 3,6-ditert-butyl-1-(3-methyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 3,6-ditert-butyl-1-(3-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium; 3,6-ditert-butyl-1-(3-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Formula: C40H41Cl2Zr-3 MolecularWeight: 683.88354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=C1)C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=CCC(=C1)C2=C3[CH-]C4=C(C3=CC(=C2)C(C)(C)C)C=C(C=C4)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C27H31.C13H10.2ClH.Zr/c1-17-8-9-18(12-17)23-15-21(27(5,6)7)16-25-22-14-20(26(2,3)4)11-10-19(22)13-24(23)25;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h8,10-16H,9H2,1-7H3;1-10H;2*1H;/q-1;;;;/p-2