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

Systemtic Name: 4-ethyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride Openeye Name: 4-ethyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride CAS Name: 4-ethyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride IUPAC Name: 4-ethyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride Traditional Name: 4-ethyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride Formula: C36H39F3Zr3 MolecularWeight: 802.36207

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C=C([CH-]2)C.CCC1=CC=CC2=C1C=C([CH-]2)C.CCC1=CC=CC2=C1C=C([CH-]2)C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC=CC2=C1C=C([CH-]2)C.CCC1=CC=CC2=C1C=C([CH-]2)C.CCC1=CC=CC2=C1C=C([CH-]2)C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C12H13.3FH.3Zr/c3*1-3-10-5-4-6-11-7-9(2)8-12(10)11;;;;;;/h3*4-8H,3H2,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3