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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCCCC1=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*1-3-4-6-19-10-12-20(13-11-19)23-8-5-7-21-15-22(16-24(21)23)25-14-9-18(2)17-26-25;;;/h2*5,7-17H,3-4,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2