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

Systemtic Name: dimethylsilylidenezirconium(2+); 2-methyl-4-phenyl-1H-azulen-1-ide; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 2-methyl-4-phenyl-1H-azulen-1-ide; dichloride CAS Name: dimethylsilylidenezirconium(2+); 2-methyl-4-phenyl-1H-azulen-1-ide; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 2-methyl-4-phenyl-1H-azulen-1-ide; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 2-methyl-4-phenyl-1H-azulen-1-ide; dichloride Formula: C72H64Cl2Si2Zr2-2 MolecularWeight: 1238.80356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=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

CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=CC2=C(C=CC=CC2=[C-]1)C3=CC=CC=C3.CC1=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/4C17H13.2C2H6Si.2ClH.2Zr/c4*1-13-11-15-9-5-6-10-16(17(15)12-13)14-7-3-2-4-8-14;2*1-3-2;;;;/h4*2-10,12H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2