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

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

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

InChI

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