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

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); dichloride Formula: C42H64Cl2Zr2-2 MolecularWeight: 822.31156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C9H13.2C3H6.2ClH.2Zr/c4*1-9(2,3)8-6-4-5-7-8;2*1-3-2;;;;/h4*6-7H,4H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2