carbanide; 2-methylphenol; 2-(trifluoromethyl)phenol; zirconium(2+)

Systemtic Name: carbanide; 2-methylphenol; 2-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: carbanide; o-cresol; 2-(trifluoromethyl)phenol; zirconium(2+) CAS Name: carbanide; 2-methylphenol; 2-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: carbanide; 2-methylphenol; 2-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: carbanide; o-cresol; 2-(trifluoromethyl)phenol; zirconium(2+) Formula: C16H19F3O2Zr MolecularWeight: 391.54007

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1=CC=CC=C1O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr+2]

Isomeric SMILES

[CH3-].[CH3-].CC1=CC=CC=C1O.C1=CC=C(C(=C1)C(F)(F)F)O.[Zr+2]

InChI

InChI=1S/C7H5F3O.C7H8O.2CH3.Zr/c8-7(9,10)5-3-1-2-4-6(5)11;1-6-4-2-3-5-7(6)8;;;/h1-4,11H;2-5,8H,1H3;2*1H3;/q;;2*-1;+2