2-(4-fluorophenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(4-fluorophenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(4-fluorophenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(4-fluorophenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(4-fluorophenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(4-fluorophenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C60H40Cl2F4Zr2-2 MolecularWeight: 1090.307213

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C15H10F.2ClH.2Zr/c4*16-15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;;;;/h4*1-10H;2*1H;;/q4*-1;;;2*+2/p-2