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

Systemtic Name: carbanide; 2-(4-methyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) Openeye Name: carbanide; 2-(4-methyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) CAS Name: carbanide; 2-(4-methyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) IUPAC Name: carbanide; 2-(4-methyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) Traditional Name: carbanide; 2-(4-methyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) Formula: C44H38N2Zr MolecularWeight: 686.00992

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.CC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.CC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.[Zr+4]

InChI

InChI=1S/2C21H16N.2CH3.Zr/c2*1-21(18-9-3-2-4-10-18)12-7-8-16-14-17(15-19(16)21)20-11-5-6-13-22-20;;;/h2*2-13,15H,1H3;2*1H3;/q4*-1;+4