1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-methylbenzene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; dimethylsilylidenezirconium(2+); dichloride Formula: C52H56Cl2Si2Zr2-2 MolecularWeight: 990.52604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C12H11.2C2H6Si.2ClH.2Zr/c4*1-10-5-4-8-12(9-10)11-6-2-3-7-11;2*1-3-2;;;;/h4*2,4-6,8-9H,3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2