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

Systemtic Name: carbanide; 2-(4-ethyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) Openeye Name: carbanide; 2-(4-ethyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) CAS Name: carbanide; 2-(4-ethyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) IUPAC Name: carbanide; 2-(4-ethyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) Traditional Name: carbanide; 2-(4-ethyl-4-phenyl-1H-inden-1-id-2-yl)pyridine; zirconium(4+) Formula: C46H42N2Zr MolecularWeight: 714.06308

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.CCC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CCC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.CCC1(C=CC=C2C1=CC(=[C-]2)C3=CC=CC=N3)C4=CC=CC=C4.[Zr+4]

InChI

InChI=1S/2C22H18N.2CH3.Zr/c2*1-2-22(19-10-4-3-5-11-19)13-8-9-17-15-18(16-20(17)22)21-12-6-7-14-23-21;;;/h2*3-14,16H,2H2,1H3;2*1H3;/q4*-1;+4