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

Systemtic Name: methylidenezirconium(2+); 4-phenyl-1H-inden-1-ide; dichloride Openeye Name: methylenezirconium(2+); 4-phenyl-1H-inden-1-ide; dichloride CAS Name: methylenezirconium(2+); 4-phenyl-1H-inden-1-ide; dichloride IUPAC Name: methylidenezirconium(2+); 4-phenyl-1H-inden-1-ide; dichloride Traditional Name: methylenezirconium(2+); 4-phenyl-1H-inden-1-ide; dichloride Formula: C62H48Cl2Zr2-2 MolecularWeight: 1046.39852

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Descriptors Computed from Structure

Canonical SMILES:

C=[Zr+2].C=[Zr+2].[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C=[Zr+2].C=[Zr+2].[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[CH-]1C=CC2=C1C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/4C15H11.2CH2.2ClH.2Zr/c4*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;;;;;;/h4*1-11H;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2