4-(4-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 4-(4-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 4-(4-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 4-(4-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 4-(4-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 4-(4-chlorophenyl)-2-ethyl-1H-azulen-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C76H68Cl6Si2Zr2-2 MolecularWeight: 1432.69012

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/4C18H14Cl.2C2H6Si.2ClH.2Zr/c4*1-2-13-11-15-5-3-4-6-17(18(15)12-13)14-7-9-16(19)10-8-14;2*1-3-2;;;;/h4*3-10,12H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2