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

Systemtic Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); trifluoride Openeye Name: 4-isopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride CAS Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); trifluoride IUPAC Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); trifluoride Traditional Name: 4-isopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride Formula: C39H45F3Zr3 MolecularWeight: 844.44181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.CC1=CC2=C([CH-]1)C=CC=C2C(C)C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

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