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

Systemtic Name: 2-butan-2-yl-2-(3,5-ditert-butylphenyl)-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-5-phenyl-2-sec-butyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-butan-2-yl-2-(3,5-ditert-butylphenyl)-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-butan-2-yl-2-(3,5-ditert-butylphenyl)-5-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-5-phenyl-2-sec-butyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C33H39Cl2Zr- MolecularWeight: 597.79276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C33H39.2ClH.Zr/c1-9-23(2)33(30-19-28(31(3,4)5)18-29(20-30)32(6,7)8)21-26-16-15-25(17-27(26)22-33)24-13-11-10-12-14-24;;;/h10-20,22-23H,9H2,1-8H3;2*1H;/q-1;;;+2/p-2