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

Systemtic Name: 1-(2,3-dimethylphenyl)inden-1-ide; zirconium(2+); dichloride Openeye Name: 1-(2,3-dimethylphenyl)inden-1-ide; zirconium(2+); dichloride CAS Name: 1-(2,3-dimethylphenyl)inden-1-ide; zirconium(2+); dichloride IUPAC Name: 1-(2,3-dimethylphenyl)inden-1-ide; zirconium(2+); dichloride Traditional Name: 1-(2,3-dimethylphenyl)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(=C1C)[C-]2C=CC3=CC=CC=C23.CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.CC1=CC=CC(=C1C)[C-]2C=CC3=CC=CC=C23.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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