2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); difluoride

Systemtic Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); difluoride Openeye Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); difluoride CAS Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); difluoride IUPAC Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); difluoride Traditional Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); difluoride Formula: C68H60F2Zr2-2 MolecularWeight: 1097.648806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[F-].[F-].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[F-].[F-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C17H15.2FH.2Zr/c4*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;/h4*3-12H,2H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2