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

Systemtic Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); difluoride Openeye Name: 4-isopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); difluoride CAS Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); difluoride IUPAC Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); difluoride Traditional Name: 4-isopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); difluoride Formula: C52H60F2Zr2-2 MolecularWeight: 905.477606

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

InChI

InChI=1S/4C13H15.2FH.2Zr/c4*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;;;;/h4*4-9H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2