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

Systemtic Name: 5-tert-butyl-2-phenyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 5-tert-butyl-2-phenyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 5-tert-butyl-2-phenyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 5-tert-butyl-2-phenyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 5-tert-butyl-2-phenyl-2-(2-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C31H27Cl2Zr- MolecularWeight: 561.67608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC([C-]=C2C=C1)(C3=CC=CC=C3)C4=CC=CC=C4C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=CC([C-]=C2C=C1)(C3=CC=CC=C3)C4=CC=CC=C4C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C31H27.2ClH.Zr/c1-30(2,3)27-19-18-24-21-31(22-25(24)20-27,26-14-8-5-9-15-26)29-17-11-10-16-28(29)23-12-6-4-7-13-23;;;/h4-20,22H,1-3H3;2*1H;/q-1;;;+2/p-2