3-fluoranyl-4-methyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-5-(isoxazol-5-ylmethylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-fluoro-5-(5-isoxazolylmethylsulfonyl)-4-methylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-5-(isoxazol-5-ylmethylsulfonyl)-4-methyl-benzoic acid Formula: C12H10FNO5S MolecularWeight: 299.274903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=NO2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=NO2)C(=O)O)F

InChI

InChI=1S/C12H10FNO5S/c1-7-10(13)4-8(12(15)16)5-11(7)20(17,18)6-9-2-3-14-19-9/h2-5H,6H2,1H3,(H,15,16)