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

Systemtic Name: 5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Openeye Name: 5-methyl-2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Traditional Name: 5-methyl-2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Formula: C44H36Cl2N2Zr MolecularWeight: 754.90004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H18N.2ClH.Zr/c2*1-15-6-9-17(10-7-15)20-5-3-4-18-12-19(13-21(18)20)22-11-8-16(2)14-23-22;;;/h2*3-14H,1-2H3;2*1H;/q2*-1;;;+4/p-2