1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 1-(3,5-dimethyl-1-cyclopenta-1,4-dienyl)-2-ethylbenzene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; dimethylsilylidenezirconium(2+); dichloride Formula: C64H80Cl2Si2Zr2-2 MolecularWeight: 1158.845

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=CC([C-]=C2C)C.CCC1=CC=CC=C1C2=CC([C-]=C2C)C.CCC1=CC=CC=C1C2=CC([C-]=C2C)C.CCC1=CC=CC=C1C2=CC([C-]=C2C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC=CC=C1C2=CC([C-]=C2C)C.CCC1=CC=CC=C1C2=CC([C-]=C2C)C.CCC1=CC=CC=C1C2=CC([C-]=C2C)C.CCC1=CC=CC=C1C2=CC([C-]=C2C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C15H17.2C2H6Si.2ClH.2Zr/c4*1-4-13-7-5-6-8-14(13)15-10-11(2)9-12(15)3;2*1-3-2;;;;/h4*5-8,10-11H,4H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2