4-butyl-2,7-dimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 4-butyl-2,7-dimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 4-butyl-2,7-dimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 4-butyl-2,7-dimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 4-butyl-2,7-dimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 4-butyl-2,7-dimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C64H88Cl2Si2Zr2-2 MolecularWeight: 1166.90852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCCC1=C2C=C([CH-]C2=C(C=C1)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C15H19.2C2H6Si.2ClH.2Zr/c4*1-4-5-6-13-8-7-12(3)14-9-11(2)10-15(13)14;2*1-3-2;;;;/h4*7-10H,4-6H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2