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

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5-ethyl-2-(2-methylpropyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-5-ethyl-2-isobutyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-5-ethyl-2-(2-methylpropyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-5-ethyl-2-(2-methylpropyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-5-ethyl-2-isobutyl-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)(CC(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

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

InChI

InChI=1S/C29H39.2ClH.Zr/c1-10-21-11-12-22-18-29(17-20(2)3,19-23(22)13-21)26-15-24(27(4,5)6)14-25(16-26)28(7,8)9;;;/h11-16,19-20H,10,17H2,1-9H3;2*1H;/q-1;;;+2/p-2