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

Systemtic Name: 5-methyl-2-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Openeye Name: 5-methyl-2-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 5-methyl-2-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 5-methyl-2-[4-(4-propylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Traditional Name: 5-methyl-2-[4-(4-propylphenyl)-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:

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C24H22N.2ClH.Zr/c2*1-3-5-18-9-11-19(12-10-18)22-7-4-6-20-14-21(15-23(20)22)24-13-8-17(2)16-25-24;;;/h2*4,6-16H,3,5H2,1-2H3;2*1H;/q2*-1;;;+4/p-2