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

Systemtic Name: 2-tert-butyl-2-(3,5-ditert-butylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-tert-butyl-2-(3,5-ditert-butylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-tert-butyl-2-(3,5-ditert-butylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-tert-butyl-2-(3,5-ditert-butylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-tert-butyl-2-(3,5-ditert-butylphenyl)-5-ethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C29H39Cl2Zr- MolecularWeight: 549.74996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC([C-]=C2C=C1)(C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCC1=CC2=CC([C-]=C2C=C1)(C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C29H39.2ClH.Zr/c1-11-20-12-13-21-18-29(28(8,9)10,19-22(21)14-20)25-16-23(26(2,3)4)15-24(17-25)27(5,6)7;;;/h12-17,19H,11H2,1-10H3;2*1H;/q-1;;;+2/p-2