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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCCCC1=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*1-2-3-8-15-13-17-11-7-12-18(19(17)14-15)16-9-5-4-6-10-16;2*1-3-2;;;;/h4*4-7,9-14H,2-3,8H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2