2-(4-naphthalen-2-ylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride

Systemtic Name: 2-(4-naphthalen-2-ylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride Openeye Name: 2-[4-(2-naphthyl)inden-1-id-1-yl]pyridine; zirconium(2+); dichloride CAS Name: 2-[4-(2-naphthalenyl)-1-inden-1-idyl]pyridine; zirconium(2+); dichloride IUPAC Name: 2-(4-naphthalen-2-ylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride Traditional Name: 2-[4-(2-naphthyl)inden-1-id-1-yl]pyridine; zirconium(2+); dichloride Formula: C48H32Cl2N2Zr-2 MolecularWeight: 798.91108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CC=CC4=C3C=C[C-]4C5=CC=CC=N5.C1=CC=C2C=C(C=CC2=C1)C3=CC=CC4=C3C=C[C-]4C5=CC=CC=N5.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC=CC4=C3C=C[C-]4C5=CC=CC=N5.C1=CC=C2C=C(C=CC2=C1)C3=CC=CC4=C3C=C[C-]4C5=CC=CC=N5.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C24H16N.2ClH.Zr/c2*1-2-7-18-16-19(12-11-17(18)6-1)20-8-5-9-21-22(20)13-14-23(21)24-10-3-4-15-25-24;;;/h2*1-16H;2*1H;/q2*-1;;;+2/p-2