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

Systemtic Name: dimethylsilylidenezirconium(2+); 9-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]phenanthrene; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 9-(2-isobutyl-1H-inden-1-id-4-yl)phenanthrene; dichloride CAS Name: dimethylsilylidenezirconium(2+); 9-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]phenanthrene; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 9-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]phenanthrene; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 9-(2-isobutyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Formula: C112H104Cl2Si2Zr2-2 MolecularWeight: 1759.54916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)CC1=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

CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)CC1=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*1-18(2)14-19-15-20-9-7-13-25(26(20)16-19)27-17-21-8-3-4-10-22(21)23-11-5-6-12-24(23)27;2*1-3-2;;;;/h4*3-13,15-18H,14H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2