1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-ethylbenzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-ethylbenzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Formula: C66H68Cl2Si2Zr2-2 MolecularWeight: 1170.77112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=[C-]CC=C2.CCC1=CC=CC(=C1)C2=[C-]CC=C2.CCC1=CC=CC(=C1)C2=[C-]CC=C2.CCC1=CC=CC(=C1)C2=[C-]CC=C2.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC=CC(=C1)C2=[C-]CC=C2.CCC1=CC=CC(=C1)C2=[C-]CC=C2.CCC1=CC=CC(=C1)C2=[C-]CC=C2.CCC1=CC=CC(=C1)C2=[C-]CC=C2.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/4C13H13.2C7H8Si.2ClH.2Zr/c4*1-2-11-6-5-9-13(10-11)12-7-3-4-8-12;2*1-8-7-5-3-2-4-6-7;;;;/h4*3,5-7,9-10H,2,4H2,1H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2