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

Systemtic Name: 2,3,6-tris(fluoranyl)-4-methyl-5-nitro-benzoic acid Openeye Name: 2,3,6-trifluoro-4-methyl-5-nitro-benzoic acid CAS Name: 2,3,6-trifluoro-4-methyl-5-nitrobenzoic acid IUPAC Name: 2,3,6-trifluoro-4-methyl-5-nitrobenzoic acid Traditional Name: 2,3,6-trifluoro-4-methyl-5-nitro-benzoic acid Formula: C8H4F3NO4 MolecularWeight: 235.11687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4F3NO4/c1-2-4(9)5(10)3(8(13)14)6(11)7(2)12(15)16/h1H3,(H,13,14)