4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4-(3,5-dimethylphenyl)-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C72H68Cl2Zr2-2 MolecularWeight: 1186.66432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.CC1=CC2=C([CH-]1)C=CC=C2C3=CC(=CC(=C3)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C18H17.2ClH.2Zr/c4*1-12-7-13(2)10-16(9-12)17-6-4-5-15-8-14(3)11-18(15)17;;;;/h4*4-11H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2