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

Systemtic Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride Openeye Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride CAS Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride IUPAC Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride Traditional Name: 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride Formula: C51H45F3Zr3 MolecularWeight: 988.57021

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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.[F-].[F-].[F-].[Zr+2].[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.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C17H15.3FH.3Zr/c3*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;;;;;;/h3*3-12H,2H2,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3