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

Systemtic Name: 2,7-dimethyl-4-(1-phenylethyl)-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 2,7-dimethyl-4-(1-phenylethyl)-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 2,7-dimethyl-4-(1-phenylethyl)-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 2,7-dimethyl-4-(1-phenylethyl)-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 2,7-dimethyl-4-(1-phenylethyl)-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C80H88Cl2Si2Zr2-2 MolecularWeight: 1359.07972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.CC1=CC2=C(C=CC(=C2[CH-]1)C)C(C)C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

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