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

Systemtic Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Openeye Name: 2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Traditional Name: 2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Formula: C42H32Cl2N2Zr MolecularWeight: 726.84688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=CC=N4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H16N.2ClH.Zr/c2*1-15-8-10-16(11-9-15)19-6-4-5-17-13-18(14-20(17)19)21-7-2-3-12-22-21;;;/h2*2-14H,1H3;2*1H;/q2*-1;;;+4/p-2