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

Systemtic Name: methylidenezirconium(2+); 3-pentan-2-yl-1H-inden-1-ide; dichloride Openeye Name: 3-(1-methylbutyl)-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: methylenezirconium(2+); 3-pentan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 3-pentan-2-yl-1H-inden-1-ide; dichloride Traditional Name: 3-(1-methylbutyl)-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C58H72Cl2Zr2-2 MolecularWeight: 1022.54628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.CCCC(C)C1=C[CH-]C2=CC=CC=C21.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C14H17.2CH2.2ClH.2Zr/c4*1-3-6-11(2)13-10-9-12-7-4-5-8-14(12)13;;;;;;/h4*4-5,7-11H,3,6H2,1-2H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2