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

Systemtic Name: 2-methyl-4-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-methyl-4-(p-tolyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-methyl-4-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-methyl-4-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-methyl-4-(p-tolyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C68H60Cl2Zr2-2 MolecularWeight: 1130.558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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