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

Systemtic Name: 2-ethyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Openeye Name: 2-ethyl-1H-inden-1-ide; methylenezirconium(2+); dichloride CAS Name: 2-ethyl-1H-inden-1-ide; methylenezirconium(2+); dichloride IUPAC Name: 2-ethyl-1H-inden-1-ide; methylidenezirconium(2+); dichloride Traditional Name: 2-ethyl-1H-inden-1-ide; methylenezirconium(2+); dichloride Formula: C46H48Cl2Zr2-2 MolecularWeight: 854.22732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2[CH-]1.CCC1=CC2=CC=CC=C2[CH-]1.CCC1=CC2=CC=CC=C2[CH-]1.CCC1=CC2=CC=CC=C2[CH-]1.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=CC=CC=C2[CH-]1.CCC1=CC2=CC=CC=C2[CH-]1.CCC1=CC2=CC=CC=C2[CH-]1.CCC1=CC2=CC=CC=C2[CH-]1.C=[Zr+2].C=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/4C11H11.2CH2.2ClH.2Zr/c4*1-2-9-7-10-5-3-4-6-11(10)8-9;;;;;;/h4*3-8H,2H2,1H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2