5-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride

Systemtic Name: 5-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-isopropylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; zirconium(4+); dichloride CAS Name: 5-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 5-methyl-2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Traditional Name: 5-methyl-2-(4-p-cumenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+); dichloride Formula: C48H44Cl2N2Zr MolecularWeight: 811.00636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

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