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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=CC=CC=C2[CH-]1.CCCC1=CC2=CC=CC=C2[CH-]1.CCCC1=CC2=CC=CC=C2[CH-]1.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC1=CC2=CC=CC=C2[CH-]1.CCCC1=CC2=CC=CC=C2[CH-]1.CCCC1=CC2=CC=CC=C2[CH-]1.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

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