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

Systemtic Name: carbanide; 2-[4-(4-methylphenyl)inden-1-id-1-yl]pyridine; zirconium(4+) Openeye Name: carbanide; 2-[4-(p-tolyl)inden-1-id-1-yl]pyridine; zirconium(4+) CAS Name: carbanide; 2-[4-(4-methylphenyl)-1-inden-1-idyl]pyridine; zirconium(4+) IUPAC Name: carbanide; 2-[4-(4-methylphenyl)inden-1-id-1-yl]pyridine; zirconium(4+) Traditional Name: carbanide; 2-[4-(p-tolyl)inden-1-id-1-yl]pyridine; zirconium(4+) Formula: C44H38N2Zr MolecularWeight: 686.00992

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Zr+4]

InChI

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