2-butyl-1H-inden-1-ide; zirconium(2+); trifluoride

Systemtic Name: 2-butyl-1H-inden-1-ide; zirconium(2+); trifluoride Openeye Name: 2-butyl-1H-inden-1-ide; zirconium(2+); trifluoride CAS Name: 2-butyl-1H-inden-1-ide; zirconium(2+); trifluoride IUPAC Name: 2-butyl-1H-inden-1-ide; zirconium(2+); trifluoride Traditional Name: 2-butyl-1H-inden-1-ide; zirconium(2+); trifluoride Formula: C39H45F3Zr3 MolecularWeight: 844.44181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.CCCCC1=CC2=CC=CC=C2[CH-]1.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C13H15.3FH.3Zr/c3*1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;;;;;;/h3*4-5,7-10H,2-3,6H2,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3