3-fluoranyl-4-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-methylsulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-methylsulfonylbenzoic acid Traditional Name: 3-fluoro-5-mesyl-4-methyl-benzoic acid Formula: C9H9FO4S MolecularWeight: 232.228763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C)C(=O)O)F

InChI

InChI=1S/C9H9FO4S/c1-5-7(10)3-6(9(11)12)4-8(5)15(2,13)14/h3-4H,1-2H3,(H,11,12)