cyclopenta-1,3-diene; 2,5-ditert-butylpyrrol-5-ide; zirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,5-ditert-butylpyrrol-5-ide; zirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,5-ditert-butylpyrrol-5-ide; zirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 2,5-ditert-butylpyrrol-5-ide; zirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,5-ditert-butylpyrrol-5-ide; zirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,5-ditert-butylpyrrol-5-ide; zirconium(2+); dichloride Formula: C17H25Cl2NZr-2 MolecularWeight: 405.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C-]1C=CC(=N1)C(C)(C)C.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)[C-]1C=CC(=N1)C(C)(C)C.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C12H20N.C5H5.2ClH.Zr/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-2-4-5-3-1;;;/h7-8H,1-6H3;1-3H,4H2;2*1H;/q2*-1;;;+2/p-2