carbanide; 3-methylphenol; 3-(trifluoromethyl)phenol; zirconium(2+)

Systemtic Name: carbanide; 3-methylphenol; 3-(trifluoromethyl)phenol; zirconium(2+) Openeye Name: carbanide; m-cresol; 3-(trifluoromethyl)phenol; zirconium(2+) CAS Name: carbanide; 3-methylphenol; 3-(trifluoromethyl)phenol; zirconium(2+) IUPAC Name: carbanide; 3-methylphenol; 3-(trifluoromethyl)phenol; zirconium(2+) Traditional Name: carbanide; m-cresol; 3-(trifluoromethyl)phenol; zirconium(2+) Formula: C16H19F3O2Zr MolecularWeight: 391.54007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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