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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C.CCC1=CC2=C([CH-]1)C=CC=C2C.CCC1=CC2=C([CH-]1)C=CC=C2C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C.CCC1=CC2=C([CH-]1)C=CC=C2C.CCC1=CC2=C([CH-]1)C=CC=C2C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

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