2-(2,2-dimethylpropyl)-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 2-(2,2-dimethylpropyl)-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 2-(2,2-dimethylpropyl)-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 2-(2,2-dimethylpropyl)-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 2-(2,2-dimethylpropyl)-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: dimethylsilylidenezirconium(2+); 2-neopentyl-4-phenyl-1H-inden-1-ide; dichloride Formula: C84H96Cl2Si2Zr2-2 MolecularWeight: 1415.18604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C20H21.2C2H6Si.2ClH.2Zr/c4*1-20(2,3)14-15-12-17-10-7-11-18(19(17)13-15)16-8-5-4-6-9-16;2*1-3-2;;;;/h4*4-13H,14H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2