2,3,6-tris(fluoranyl)-4-methyl-benzoate

Systemtic Name: 2,3,6-tris(fluoranyl)-4-methyl-benzoate Openeye Name: 2,3,6-trifluoro-4-methyl-benzoate CAS Name: 2,3,6-trifluoro-4-methylbenzoate IUPAC Name: 2,3,6-trifluoro-4-methylbenzoate Traditional Name: 2,3,6-trifluoro-4-methyl-benzoate Formula: C8H4F3O2- MolecularWeight: 189.11137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)F)C(=O)[O-])F

Isomeric SMILES

CC1=CC(=C(C(=C1F)F)C(=O)[O-])F

InChI

InChI=1S/C8H5F3O2/c1-3-2-4(9)5(8(12)13)7(11)6(3)10/h2H,1H3,(H,12,13)/p-1