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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Cl-].[Cl-].[Zr+2]

InChI

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