dimethylsilylidenezirconium(2+); (3-phenylcyclopenta-1,3-dien-1-yl)benzene; dichloride

Systemtic Name: dimethylsilylidenezirconium(2+); (3-phenylcyclopenta-1,3-dien-1-yl)benzene; dichloride Openeye Name: dimethylsilylidenezirconium(2+); (3-phenylcyclopenta-1,3-dien-1-yl)benzene; dichloride CAS Name: dimethylsilylidenezirconium(2+); (3-phenyl-1-cyclopenta-1,3-dienyl)benzene; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); (3-phenylcyclopenta-1,3-dien-1-yl)benzene; dichloride Traditional Name: dimethylsilylidenezirconium(2+); (3-phenylcyclopenta-1,3-dien-1-yl)benzene; dichloride Formula: C72H64Cl2Si2Zr2-2 MolecularWeight: 1238.80356

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.C1[C-]=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/4C17H13.2C2H6Si.2ClH.2Zr/c4*1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2*1-3-2;;;;/h4*1-10,13H,11H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2