4-(2,5-dimethylphenyl)-2-ethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 4-(2,5-dimethylphenyl)-2-ethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 4-(2,5-dimethylphenyl)-2-ethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 4-(2,5-dimethylphenyl)-2-ethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 4-(2,5-dimethylphenyl)-2-ethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 4-(2,5-dimethylphenyl)-2-ethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C80H88Cl2Si2Zr2-2 MolecularWeight: 1359.07972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.CCC1=CC2=C([CH-]1)C=CC=C2C3=C(C=CC(=C3)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C19H19.2C2H6Si.2ClH.2Zr/c4*1-4-15-11-16-6-5-7-17(19(16)12-15)18-10-13(2)8-9-14(18)3;2*1-3-2;;;;/h4*5-12H,4H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2