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

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; zirconium(4+); dichloride Openeye Name: 5-methyl-2-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-methylpyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-methylpyridine; zirconium(4+); dichloride Traditional Name: 5-methyl-2-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Formula: C50H48Cl2N2Zr MolecularWeight: 839.05952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H24N.2ClH.Zr/c2*1-4-18(3)19-9-11-20(12-10-19)23-7-5-6-21-14-22(15-24(21)23)25-13-8-17(2)16-26-25;;;/h2*5-16,18H,4H2,1-3H3;2*1H;/q2*-1;;;+4/p-2