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

Systemtic Name: 2-[4-(4-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butylphenyl)-1,2-dihydroinden-2-id-1-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(4-butylphenyl)-1,2-dihydroinden-2-id-1-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=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.CCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=CC=N4.CCCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)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)20-8-6-9-21-22(20)15-16-23(21)24-10-4-5-17-25-24;;;/h2*4-6,8-15,17,23H,2-3,7H2,1H3;2*1H;/q2*-1;;;+4/p-2