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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Formula: C52H52Cl2N2Zr MolecularWeight: 867.11268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H26N.2ClH.Zr/c2*1-2-3-4-5-9-20-13-15-21(16-14-20)24-11-8-10-22-18-23(19-25(22)24)26-12-6-7-17-27-26;;;/h2*6-8,10-19H,2-5,9H2,1H3;2*1H;/q2*-1;;;+4/p-2