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

Systemtic Name: 2,4,5-tris(fluoranyl)-3-methyl-6-nitro-benzoic acid Openeye Name: 2,4,5-trifluoro-3-methyl-6-nitro-benzoic acid CAS Name: 2,4,5-trifluoro-3-methyl-6-nitrobenzoic acid IUPAC Name: 2,4,5-trifluoro-3-methyl-6-nitrobenzoic acid Traditional Name: 2,4,5-trifluoro-3-methyl-6-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)[N+](=O)[O-])C(=O)O)F

Isomeric SMILES

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

InChI

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