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

Systemtic Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Openeye Name: 2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) CAS Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) IUPAC Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Traditional Name: 2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Formula: C42H32N2Zr MolecularWeight: 655.94088

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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.[Zr+2]

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.[Zr+2]

InChI

InChI=1S/2C21H16N.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;/q2*-1;+2