4-(4-tert-butyl-3-chloranyl-phenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 4-(4-tert-butyl-3-chloranyl-phenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 4-(4-tert-butyl-3-chloro-phenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 4-(4-tert-butyl-3-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 4-(4-tert-butyl-3-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 4-(4-tert-butyl-3-chloro-phenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C92H100Cl6Si2Zr2-2 MolecularWeight: 1657.1154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C22H22Cl.2C2H6Si.2ClH.2Zr/c4*1-5-15-12-16-8-6-7-9-18(19(16)13-15)17-10-11-20(21(23)14-17)22(2,3)4;2*1-3-2;;;;/h4*6-11,13-14H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2