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

Systemtic Name: 3-fluoranyl-4-methyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid Formula: C11H9FN2O5S MolecularWeight: 300.262963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=NOC=N2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=NOC=N2)C(=O)O)F

InChI

InChI=1S/C11H9FN2O5S/c1-6-8(12)2-7(11(15)16)3-9(6)20(17,18)4-10-13-5-19-14-10/h2-3,5H,4H2,1H3,(H,15,16)