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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=CC=CC=C2[CH-]1.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC(C)CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=CC=CC=C2[CH-]1.CC(C)CC1=CC2=CC=CC=C2[CH-]1.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

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