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

Systemtic Name: 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride Openeye Name: 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride CAS Name: 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride IUPAC Name: 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride Traditional Name: 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+); trifluoride Formula: C48H39F3Zr3 MolecularWeight: 946.49047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C16H13.3FH.3Zr/c3*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;;;;/h3*2-11H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3