9-(2-butan-2-yl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 9-(2-butan-2-yl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: dimethylsilylidenezirconium(2+); 9-(2-sec-butyl-1H-inden-1-id-4-yl)phenanthrene; dichloride CAS Name: 9-(2-butan-2-yl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 9-(2-butan-2-yl-1H-inden-1-id-4-yl)phenanthrene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: dimethylsilylidenezirconium(2+); 9-(2-sec-butyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Formula: C112H104Cl2Si2Zr2-2 MolecularWeight: 1759.54916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C27H23.2C2H6Si.2ClH.2Zr/c4*1-3-18(2)21-15-19-10-8-14-25(26(19)17-21)27-16-20-9-4-5-11-22(20)23-12-6-7-13-24(23)27;2*1-3-2;;;;/h4*4-18H,3H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2