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

Systemtic Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride CAS Name: cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride Formula: C39H40Cl2Zr-2 MolecularWeight: 670.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C21H25.C13H10.C5H5.2ClH.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-5-3-1;;;/h7-13H,1-6H3;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2