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

Systemtic Name: 2-ethyl-4-methyl-1H-inden-1-ide; zirconium(2+); difluoride Openeye Name: 2-ethyl-4-methyl-1H-inden-1-ide; zirconium(2+); difluoride CAS Name: 2-ethyl-4-methyl-1H-inden-1-ide; zirconium(2+); difluoride IUPAC Name: 2-ethyl-4-methyl-1H-inden-1-ide; zirconium(2+); difluoride Traditional Name: 2-ethyl-4-methyl-1H-inden-1-ide; zirconium(2+); difluoride Formula: C48H52F2Zr2-2 MolecularWeight: 849.371286

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

InChI

InChI=1S/4C12H13.2FH.2Zr/c4*1-3-10-7-11-6-4-5-9(2)12(11)8-10;;;;/h4*4-8H,3H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2