2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide; zirconium(2+)

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide; zirconium(2+) Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide; zirconium(2+) CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide; zirconium(2+) IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide; zirconium(2+) Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide; zirconium(2+) Formula: C34H18F12Zr MolecularWeight: 745.711558

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.[CH-]1C2=CC=CC=C2C=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.[CH-]1C2=CC=CC=C2C=C1C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.[Zr+2]

InChI

InChI=1S/2C17H9F6.Zr/c2*18-16(19,20)14-7-13(8-15(9-14)17(21,22)23)12-5-10-3-1-2-4-11(10)6-12;/h2*1-9H;/q2*-1;+2