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

Systemtic Name: 1-cyclopenta-1,4-dien-1-ylpropylbenzene; zirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-ylpropylbenzene; zirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)propylbenzene; zirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-ylpropylbenzene; zirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-ylpropylbenzene; zirconium(2+); dichloride Formula: C28H30Cl2Zr-2 MolecularWeight: 528.6678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H15.2ClH.Zr/c2*1-2-14(13-10-6-7-11-13)12-8-4-3-5-9-12;;;/h2*3-6,8-10,14H,2,7H2,1H3;2*1H;/q2*-1;;;+2/p-2