2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(p-tolyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(p-tolyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C64H52Cl2Zr2-2 MolecularWeight: 1074.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C16H13.2ClH.2Zr/c4*1-12-6-8-13(9-7-12)16-10-14-4-2-3-5-15(14)11-16;;;;/h4*2-11H,1H3;2*1H;;/q4*-1;;;2*+2/p-2