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

Systemtic Name: 3-(dioxidanylmethyl)-2,5,6-tris(fluoranyl)-4-methyl-benzoic acid Openeye Name: 2,3,6-trifluoro-5-(hydroperoxymethyl)-4-methyl-benzoic acid CAS Name: 2,3,6-trifluoro-5-(hydroperoxymethyl)-4-methylbenzoic acid IUPAC Name: 2,3,6-trifluoro-5-(hydroperoxymethyl)-4-methylbenzoic acid Traditional Name: 2,3,6-trifluoro-5-(hydroperoxymethyl)-4-methyl-benzoic acid Formula: C9H7F3O4 MolecularWeight: 236.14469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)F)C(=O)O)F)COO

Isomeric SMILES

CC1=C(C(=C(C(=C1F)F)C(=O)O)F)COO

InChI

InChI=1S/C9H7F3O4/c1-3-4(2-16-15)7(11)5(9(13)14)8(12)6(3)10/h15H,2H2,1H3,(H,13,14)