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

Systemtic Name: 2-(3,5-ditert-butylphenyl)-2-ethyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-2-ethyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-2-ethyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-2-ethyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-2-ethyl-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C31H35Cl2Zr- MolecularWeight: 569.7396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(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

CCC1(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/C31H35.2ClH.Zr/c1-8-31(28-18-26(29(2,3)4)17-27(19-28)30(5,6)7)20-24-15-14-23(16-25(24)21-31)22-12-10-9-11-13-22;;;/h9-19,21H,8H2,1-7H3;2*1H;/q-1;;;+2/p-2