2-(3,5-ditert-butylphenyl)-5-phenyl-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5-phenyl-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-2-isopropyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-5-phenyl-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-5-phenyl-2-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-2-isopropyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C32H37Cl2Zr- MolecularWeight: 583.76618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C=C2C=C(C=CC2=[C-]1)C3=CC=CC=C3)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)C1(C=C2C=C(C=CC2=[C-]1)C3=CC=CC=C3)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C32H37.2ClH.Zr/c1-22(2)32(29-18-27(30(3,4)5)17-28(19-29)31(6,7)8)20-25-15-14-24(16-26(25)21-32)23-12-10-9-11-13-23;;;/h9-19,21-22H,1-8H3;2*1H;/q-1;;;+2/p-2