2-[4-(4-tert-butylphenyl)inden-1-id-1-yl]pyridine; carbanide; zirconium(4+)

Systemtic Name: 2-[4-(4-tert-butylphenyl)inden-1-id-1-yl]pyridine; carbanide; zirconium(4+) Openeye Name: 2-[4-(4-tert-butylphenyl)inden-1-id-1-yl]pyridine; carbanide; zirconium(4+) CAS Name: 2-[4-(4-tert-butylphenyl)-1-inden-1-idyl]pyridine; carbanide; zirconium(4+) IUPAC Name: 2-[4-(4-tert-butylphenyl)inden-1-id-1-yl]pyridine; carbanide; zirconium(4+) Traditional Name: 2-[4-(4-tert-butylphenyl)inden-1-id-1-yl]pyridine; carbanide; zirconium(4+) Formula: C50H50N2Zr MolecularWeight: 770.1694

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Zr+4]

InChI

InChI=1S/2C24H22N.2CH3.Zr/c2*1-24(2,3)18-12-10-17(11-13-18)19-7-6-8-20-21(19)14-15-22(20)23-9-4-5-16-25-23;;;/h2*4-16H,1-3H3;2*1H3;/q4*-1;+4