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

Systemtic Name: carbanide; 2-[4-(4-ethylphenyl)inden-1-id-1-yl]pyridine; zirconium(4+) Openeye Name: carbanide; 2-[4-(4-ethylphenyl)inden-1-id-1-yl]pyridine; zirconium(4+) CAS Name: carbanide; 2-[4-(4-ethylphenyl)-1-inden-1-idyl]pyridine; zirconium(4+) IUPAC Name: carbanide; 2-[4-(4-ethylphenyl)inden-1-id-1-yl]pyridine; zirconium(4+) Traditional Name: carbanide; 2-[4-(4-ethylphenyl)inden-1-id-1-yl]pyridine; zirconium(4+) Formula: C46H42N2Zr MolecularWeight: 714.06308

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Zr+4]

Isomeric SMILES

[CH3-].[CH3-].CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C[C-]3C4=CC=CC=N4.[Zr+4]

InChI

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