dimethylsilylidenezirconium(2+); 2-ethyl-4-(2-fluoranyl-6-phenyl-phenyl)-1H-azulen-1-ide; dichloride

Systemtic Name: dimethylsilylidenezirconium(2+); 2-ethyl-4-(2-fluoranyl-6-phenyl-phenyl)-1H-azulen-1-ide; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 2-ethyl-4-(2-fluoro-6-phenyl-phenyl)-1H-azulen-1-ide; dichloride CAS Name: dimethylsilylidenezirconium(2+); 2-ethyl-4-(2-fluoro-6-phenylphenyl)-1H-azulen-1-ide; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 2-ethyl-4-(2-fluoro-6-phenylphenyl)-1H-azulen-1-ide; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 2-ethyl-4-(2-fluoro-6-phenyl-phenyl)-1H-azulen-1-ide; dichloride Formula: C100H84Cl2F4Si2Zr2-2 MolecularWeight: 1671.255573

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.CCC1=CC2=C(C=CC=CC2=[C-]1)C3=C(C=CC=C3F)C4=CC=CC=C4.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C24H18F.2C2H6Si.2ClH.2Zr/c4*1-2-17-15-19-11-6-7-12-21(22(19)16-17)24-20(13-8-14-23(24)25)18-9-4-3-5-10-18;2*1-3-2;;;;/h4*3-14,16H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2