2,6-ditert-butyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride

Systemtic Name: 2,6-ditert-butyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Openeye Name: 2,6-ditert-butyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride CAS Name: 2,6-ditert-butyl-4-phenylcyclopenta[b]pyrrole; zirconium(2+); dichloride IUPAC Name: 2,6-ditert-butyl-4-phenylcyclopenta[b]pyrrole; zirconium(2+); dichloride Traditional Name: 2,6-ditert-butyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Formula: C42H50Cl2N2Zr MolecularWeight: 744.9898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C1=NC(=C2)C(C)(C)C)C3=CC=CC=C3.CC(C)(C)C1=CC(=C2C1=NC(=C2)C(C)(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C1=NC(=C2)C(C)(C)C)C3=CC=CC=C3.CC(C)(C)C1=CC(=C2C1=NC(=C2)C(C)(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C21H25N.2ClH.Zr/c2*1-20(2,3)17-12-15(14-10-8-7-9-11-14)16-13-18(21(4,5)6)22-19(16)17;;;/h2*7-13H,1-6H3;2*1H;/q;;;;+2/p-2