1-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); 1,2,5-tritert-butylcyclopenta-1,3-diene; dichloride

Systemtic Name: 1-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); 1,2,5-tritert-butylcyclopenta-1,3-diene; dichloride Openeye Name: 1-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 1,2,5-tritert-butylcyclopenta-1,3-diene; dichloride CAS Name: 1-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); 1,2,5-tritert-butylcyclopenta-1,3-diene; dichloride IUPAC Name: 1-tert-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); 1,2,5-tritert-butylcyclopenta-1,3-diene; dichloride Traditional Name: 1-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 1,2,5-tritert-butylcyclopenta-1,3-diene; dichloride Formula: C29H48Cl2Zr-2 MolecularWeight: 558.82142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(C)(C)C1[C-]=CC(=C1C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC=[C-]C1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(C)(C)C1[C-]=CC(=C1C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC=[C-]C1.[Cl-].[Cl-]

InChI

InChI=1S/C17H29.C9H13.C3H6.2ClH.Zr/c1-15(2,3)12-10-11-13(16(4,5)6)14(12)17(7,8)9;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h10,13H,1-9H3;4,6H,7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2