2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); trifluoride

Systemtic Name: 2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); trifluoride Openeye Name: 4,6-diisopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride CAS Name: 2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); trifluoride IUPAC Name: 2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); trifluoride Traditional Name: 4,6-diisopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); trifluoride Formula: C48H63F3Zr3 MolecularWeight: 970.68103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C.CC1=CC2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C.CC1=CC2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C.CC1=CC2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C.CC1=CC2=C(C=C(C=C2[CH-]1)C(C)C)C(C)C.[F-].[F-].[F-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C16H21.3FH.3Zr/c3*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;;;;;;/h3*6-11H,1-5H3;3*1H;;;/q3*-1;;;;3*+2/p-3