2-(3,5-dimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(3,5-dimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-dimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(3,5-dimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(3,5-dimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-dimethylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C68H60Cl2Zr2-2 MolecularWeight: 1130.558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C17H15.2ClH.2Zr/c4*1-12-7-13(2)9-16(8-12)17-10-14-5-3-4-6-15(14)11-17;;;;/h4*3-11H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2