2-(2-methylpropyl)-2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-(2-methylpropyl)-2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-isobutyl-2-phenyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2-(2-methylpropyl)-2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-(2-methylpropyl)-2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-isobutyl-2-phenyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C41H44Cl2Zr-2 MolecularWeight: 698.91806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)CC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)CC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(C)CC1(C=C2C=CC=CC2=[C-]1)C3=CC=CC=C3.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/2C19H19.C3H6.2ClH.Zr/c2*1-15(2)12-19(18-10-4-3-5-11-18)13-16-8-6-7-9-17(16)14-19;1-3-2;;;/h2*3-11,13,15H,12H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2