4-cyclopenta-1,4-dien-1-ylpyridine; ethane; zirconium(3+); dichloride

Systemtic Name: 4-cyclopenta-1,4-dien-1-ylpyridine; ethane; zirconium(3+); dichloride Openeye Name: 4-cyclopenta-1,4-dien-1-ylpyridine; ethane; zirconium(3+); dichloride CAS Name: 4-(1-cyclopenta-1,4-dienyl)pyridine; ethane; zirconium(3+); dichloride IUPAC Name: 4-cyclopenta-1,4-dien-1-ylpyridine; ethane; zirconium(3+); dichloride Traditional Name: 4-cyclopenta-1,4-dien-1-ylpyridine; ethane; zirconium(3+); dichloride Formula: C22H21Cl2N2Zr-2 MolecularWeight: 475.54554

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C1C=CC(=[C-]1)C2=CC=NC=C2.C1C=CC(=[C-]1)C2=CC=NC=C2.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

C[CH2-].C1C=CC(=[C-]1)C2=CC=NC=C2.C1C=CC(=[C-]1)C2=CC=NC=C2.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/2C10H8N.C2H5.2ClH.Zr/c2*1-2-4-9(3-1)10-5-7-11-8-6-10;1-2;;;/h2*1,3,5-8H,2H2;1H2,2H3;2*1H;/q3*-1;;;+3/p-2