2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); dichloride Formula: C21H32Cl2Zr-2 MolecularWeight: 446.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC[C-]=C1.CCCCC1=CC[C-]=C1.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=CC[C-]=C1.CCCCC1=CC[C-]=C1.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C9H13.C3H6.2ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;1-3-2;;;/h2*7-8H,2-4,6H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2