3-cyclopenta-1,4-dien-1-ylpropylbenzene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 3-cyclopenta-1,4-dien-1-ylpropylbenzene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 3-cyclopenta-1,4-dien-1-ylpropylbenzene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 3-(1-cyclopenta-1,4-dienyl)propylbenzene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 3-cyclopenta-1,4-dien-1-ylpropylbenzene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 3-cyclopenta-1,4-dien-1-ylpropylbenzene; dimethylsilylidenezirconium(2+); dichloride Formula: C60H72Cl2Si2Zr2-2 MolecularWeight: 1102.73868

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.C1C=CC(=[C-]1)CCCC2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/4C14H15.2C2H6Si.2ClH.2Zr/c4*1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14;2*1-3-2;;;;/h4*1-4,7-9H,5-6,11-12H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2