methylidenezirconium(2+); 4-propan-2-yl-1H-inden-1-ide; dichloride

Systemtic Name: methylidenezirconium(2+); 4-propan-2-yl-1H-inden-1-ide; dichloride Openeye Name: 4-isopropyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: methylenezirconium(2+); 4-propan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 4-propan-2-yl-1H-inden-1-ide; dichloride Traditional Name: 4-isopropyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C50H56Cl2Zr2-2 MolecularWeight: 910.33364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1C=C[CH-]2.CC(C)C1=CC=CC2=C1C=C[CH-]2.CC(C)C1=CC=CC2=C1C=C[CH-]2.CC(C)C1=CC=CC2=C1C=C[CH-]2.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC=CC2=C1C=C[CH-]2.CC(C)C1=CC=CC2=C1C=C[CH-]2.CC(C)C1=CC=CC2=C1C=C[CH-]2.CC(C)C1=CC=CC2=C1C=C[CH-]2.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C12H13.2CH2.2ClH.2Zr/c4*1-9(2)11-7-3-5-10-6-4-8-12(10)11;;;;;;/h4*3-9H,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2