3-fluoranyl-4-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 3-fluoro-4-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]benzoic acid Formula: C12H11FN2O5S MolecularWeight: 314.289543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN2O5S/c1-6-9(13)3-8(12(16)17)4-10(6)21(18,19)5-11-14-7(2)20-15-11/h3-4H,5H2,1-2H3,(H,16,17)