2,3,6-tris(fluoranyl)-5-isocyano-4-methyl-benzoic acid

Systemtic Name: 2,3,6-tris(fluoranyl)-5-isocyano-4-methyl-benzoic acid Openeye Name: 2,3,6-trifluoro-5-isocyano-4-methyl-benzoic acid CAS Name: 2,3,6-trifluoro-5-isocyano-4-methylbenzoic acid IUPAC Name: 2,3,6-trifluoro-5-isocyano-4-methylbenzoic acid Traditional Name: 2,3,6-trifluoro-5-isocyano-4-methyl-benzoic acid Formula: C9H4F3NO2 MolecularWeight: 215.12877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)F)C(=O)O)F)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=C(C(=C1F)F)C(=O)O)F)[N+]#[C-]

InChI

InChI=1S/C9H4F3NO2/c1-3-5(10)6(11)4(9(14)15)7(12)8(3)13-2/h1H3,(H,14,15)