5,6-dimethyl-2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 5,6-dimethyl-2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5,6-dimethyl-2-(p-tolyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 5,6-dimethyl-2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 5,6-dimethyl-2-(4-methylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5,6-dimethyl-2-(p-tolyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C72H68Cl2Zr2-2 MolecularWeight: 1186.66432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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