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

Systemtic Name: methylidenezirconium(2+); 3-(2-methylpropyl)-1H-inden-1-ide; dichloride Openeye Name: 3-isobutyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: methylenezirconium(2+); 3-(2-methylpropyl)-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 3-(2-methylpropyl)-1H-inden-1-ide; dichloride Traditional Name: 3-isobutyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C54H64Cl2Zr2-2 MolecularWeight: 966.43996

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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.C=[Zr+2].C=[Zr+2].[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.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2CH2.2ClH.2Zr/c4*1-10(2)9-12-8-7-11-5-3-4-6-13(11)12;;;;;;/h4*3-8,10H,9H2,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2