dimethylsilylidenezirconium(2+); 2-(4-phenanthren-1-yl-1H-inden-1-id-2-yl)furan; dichloride

Systemtic Name: dimethylsilylidenezirconium(2+); 2-(4-phenanthren-1-yl-1H-inden-1-id-2-yl)furan; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 2-[4-(1-phenanthryl)-1H-inden-1-id-2-yl]furan; dichloride CAS Name: dimethylsilylidenezirconium(2+); 2-[4-(1-phenanthrenyl)-1H-inden-1-id-2-yl]furan; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 2-(4-phenanthren-1-yl-1H-inden-1-id-2-yl)furan; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 2-[4-(1-phenanthryl)-1H-inden-1-id-2-yl]furan; dichloride Formula: C112H80Cl2O4Si2Zr2-2 MolecularWeight: 1799.3562

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[Cl-].[Cl-]

Isomeric SMILES

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC5=C4C=CC6=CC=CC=C65.[Cl-].[Cl-]

InChI

InChI=1S/4C27H17O.2C2H6Si.2ClH.2Zr/c4*1-2-8-21-18(6-1)13-14-25-22(21)10-4-11-23(25)24-9-3-7-19-16-20(17-26(19)24)27-12-5-15-28-27;2*1-3-2;;;;/h4*1-17H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2