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

Systemtic Name: 2-(4-phenylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride Openeye Name: 2-(4-phenylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride CAS Name: 2-(4-phenyl-1-inden-1-idyl)pyridine; zirconium(2+); dichloride IUPAC Name: 2-(4-phenylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride Traditional Name: 2-(4-phenylinden-1-id-1-yl)pyridine; zirconium(2+); dichloride Formula: C40H28Cl2N2Zr-2 MolecularWeight: 698.79372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C20H14N.2ClH.Zr/c2*1-2-7-15(8-3-1)16-9-6-10-17-18(16)12-13-19(17)20-11-4-5-14-21-20;;;/h2*1-14H;2*1H;/q2*-1;;;+2/p-2