cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,4-dien-1-ylbenzene; isopropylidenezirconium(2+); dichloride CAS Name: 1-cyclopenta-1,4-dienylbenzene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,4-dien-1-ylbenzene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,4-dien-1-ylbenzene; isopropylidenezirconium(2+); dichloride Formula: C25H24Cl2Zr-2 MolecularWeight: 486.58806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H9.C3H6.2ClH.Zr/c2*1-2-6-10(7-3-1)11-8-4-5-9-11;1-3-2;;;/h2*1-3,6-9H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2