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

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Formula: C48H44Cl2N2Zr MolecularWeight: 811.00636

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C24H22N.2ClH.Zr/c2*1-24(2,3)18-12-10-17(11-13-18)19-7-6-8-20-21(19)14-15-22(20)23-9-4-5-16-25-23;;;/h2*4-14,16,22H,1-3H3;2*1H;/q2*-1;;;+4/p-2