dimethylsilylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-azulen-1-ide; dichloride

Systemtic Name: dimethylsilylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-azulen-1-ide; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 2-isopropyl-4-phenyl-1H-azulen-1-ide; dichloride CAS Name: dimethylsilylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-azulen-1-ide; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 4-phenyl-2-propan-2-yl-1H-azulen-1-ide; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 2-isopropyl-4-phenyl-1H-azulen-1-ide; dichloride Formula: C80H80Cl2Si2Zr2-2 MolecularWeight: 1351.0162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)C1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C19H17.2C2H6Si.2ClH.2Zr/c4*1-14(2)17-12-16-10-6-7-11-18(19(16)13-17)15-8-4-3-5-9-15;2*1-3-2;;;;/h4*3-11,13-14H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2