2-tert-butyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-tert-butyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2-tert-butyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-tert-butyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-tert-butyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C58H72Cl2Zr2-2 MolecularWeight: 1022.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2C3H6.2ClH.2Zr/c4*1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-3-2;;;;/h4*4-9H,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2