9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene; [methyl(phenyl)silylidene]zirconium(2+); dichloride

Systemtic Name: 9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Openeye Name: 9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene; [methyl(phenyl)silylidene]zirconium(2+); dichloride CAS Name: 9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene; [methyl(phenyl)silylidene]zirconium(2+); dichloride IUPAC Name: 9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Traditional Name: 9-(2-ethyl-1H-inden-1-id-4-yl)phenanthrene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Formula: C114H92Cl2Si2Zr2-2 MolecularWeight: 1771.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/4C25H19.2C7H8Si.2ClH.2Zr/c4*1-2-17-14-18-9-7-13-23(24(18)15-17)25-16-19-8-3-4-10-20(19)21-11-5-6-12-22(21)25;2*1-8-7-5-3-2-4-6-7;;;;/h4*3-16H,2H2,1H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2