3-(2-methylpropyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-(2-methylpropyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-isobutyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-(2-methylpropyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-(2-methylpropyl)-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-isobutyl-1H-inden-1-ide; isopropylidenezirconium(2+); dichloride Formula: C58H72Cl2Zr2-2 MolecularWeight: 1022.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(C)CC1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2C3H6.2ClH.2Zr/c4*1-10(2)9-12-8-7-11-5-3-4-6-13(11)12;2*1-3-2;;;;/h4*3-8,10H,9H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2