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

Systemtic Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; diphenylsilylidenezirconium(2+); dichloride Openeye Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; diphenylsilylidenezirconium(2+); dichloride CAS Name: 1-(3,5-dimethyl-1-cyclopenta-1,4-dienyl)-2-ethylbenzene; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethylbenzene; diphenylsilylidenezirconium(2+); dichloride Traditional Name: 1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-ethyl-benzene; diphenylsilylidenezirconium(2+); dichloride Formula: C84H88Cl2Si2Zr2-2 MolecularWeight: 1407.12252

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

InChI

InChI=1S/4C15H17.2C12H10Si.2ClH.2Zr/c4*1-4-13-7-5-6-8-14(13)15-10-11(2)9-12(15)3;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*5-8,10-11H,4H2,1-3H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2