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

Systemtic Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride Openeye Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride CAS Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride IUPAC Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride Traditional Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 2,7-ditert-butyl-9H-fluoren-9-ide; dichloride Formula: C36H44Cl2Zr-2 MolecularWeight: 638.86456

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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.C1C2CC3CC1CC(C2)C3=[Zr+2].[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.C1C2CC3CC1CC(C2)C3=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/C21H25.C10H14.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;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-5-3-1;;;/h7-13H,1-6H3;7-10H,1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2