2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(4+); dichloride

Systemtic Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(4+); dichloride Openeye Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(4+); dichloride CAS Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-methylpyridine; zirconium(4+); dichloride IUPAC Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-methylpyridine; zirconium(4+); dichloride Traditional Name: 2-(4-tert-butyl-1H-inden-1-id-2-yl)-5-methyl-pyridine; zirconium(4+); dichloride Formula: C38H40Cl2N2Zr MolecularWeight: 686.8676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H20N.2ClH.Zr/c2*1-13-8-9-18(20-12-13)15-10-14-6-5-7-17(16(14)11-15)19(2,3)4;;;/h2*5-12H,1-4H3;2*1H;/q2*-1;;;+4/p-2