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

Systemtic Name: 3-fluoranyl-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(5-methyl-3-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 3-fluoro-4-methyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid Formula: C13H12FNO5S MolecularWeight: 313.301483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)C2=CC(=CC(=C2C)F)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)C2=CC(=CC(=C2C)F)C(=O)O

InChI

InChI=1S/C13H12FNO5S/c1-7-3-10(15-20-7)6-21(18,19)12-5-9(13(16)17)4-11(14)8(12)2/h3-5H,6H2,1-2H3,(H,16,17)