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

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-isopropylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-propan-2-ylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-propan-2-ylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-(4-p-cumenyl-1,2-dihydroinden-2-id-1-yl)pyridine; zirconium(4+); dichloride Formula: C46H40Cl2N2Zr MolecularWeight: 782.9532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H20N.2ClH.Zr/c2*1-16(2)17-9-11-18(12-10-17)19-6-5-7-20-21(19)13-14-22(20)23-8-3-4-15-24-23;;;/h2*3-13,15-16,22H,1-2H3;2*1H;/q2*-1;;;+4/p-2