5-tert-butyl-4-(2-methylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(3+); dichloride

Systemtic Name: 5-tert-butyl-4-(2-methylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(3+); dichloride Openeye Name: 5-tert-butyl-4-(o-tolyl)-2-phenyl-1H-inden-1-ide; zirconium(3+); dichloride CAS Name: 5-tert-butyl-4-(2-methylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(3+); dichloride IUPAC Name: 5-tert-butyl-4-(2-methylphenyl)-2-phenyl-1H-inden-1-ide; zirconium(3+); dichloride Traditional Name: 5-tert-butyl-4-(o-tolyl)-2-phenyl-1H-inden-1-ide; zirconium(3+); dichloride Formula: C26H25Cl2Zr MolecularWeight: 499.6067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC3=C2C=C([CH-]3)C4=CC=CC=C4)C(C)(C)C.[Cl-].[Cl-].[Zr+3]

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC3=C2C=C([CH-]3)C4=CC=CC=C4)C(C)(C)C.[Cl-].[Cl-].[Zr+3]

InChI

InChI=1S/C26H25.2ClH.Zr/c1-18-10-8-9-13-22(18)25-23-17-21(19-11-6-5-7-12-19)16-20(23)14-15-24(25)26(2,3)4;;;/h5-17H,1-4H3;2*1H;/q-1;;;+3/p-2