2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Formula: C44H36Cl2N2Zr MolecularWeight: 754.90004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H18N.2ClH.Zr/c2*1-2-16-9-11-17(12-10-16)18-6-5-7-19-20(18)13-14-21(19)22-8-3-4-15-23-22;;;/h2*3-13,15,21H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2