2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride

Systemtic Name: 2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Openeye Name: 2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride CAS Name: 2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride IUPAC Name: 2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Traditional Name: 2-(7-methyl-2-phenyl-1H-inden-1-id-4-yl)pyridine; zirconium(2+); dichloride Formula: C42H32Cl2N2Zr2 MolecularWeight: 818.07088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=N3)C4=CC=CC=C4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=N3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=N3)C4=CC=CC=C4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=N3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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