2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); 2-methylcyclopenta-1,3-diene; dichloride

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); 2-methylcyclopenta-1,3-diene; dichloride Openeye Name: benzhydrylidenezirconium(2+); 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; dichloride CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium(2+); 2-methylcyclopenta-1,3-diene; dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methylcyclopenta-1,3-diene; dichloride Formula: C80H84Cl2Zr2-2 MolecularWeight: 1298.87696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C13H10.2C6H7.2ClH.2Zr/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-6-4-2-3-5-6;;;;/h2*7-13H,1-6H3;2*1-10H;2*2,4H,3H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2