2-butan-2-yl-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 2-butan-2-yl-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: dimethylsilylidenezirconium(2+); 4-phenyl-2-sec-butyl-1H-inden-1-ide; dichloride CAS Name: 2-butan-2-yl-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 2-butan-2-yl-4-phenyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: dimethylsilylidenezirconium(2+); 4-phenyl-2-sec-butyl-1H-inden-1-ide; dichloride Formula: C80H88Cl2Si2Zr2-2 MolecularWeight: 1359.07972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC(C)C1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC(C)C1=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/4C19H19.2C2H6Si.2ClH.2Zr/c4*1-3-14(2)17-12-16-10-7-11-18(19(16)13-17)15-8-5-4-6-9-15;2*1-3-2;;;;/h4*4-14H,3H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2