2,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2,5-dimethyl-3-(3-methylisoxazol-5-yl)-4-methylsulfonyl-benzoic acid CAS Name: 2,5-dimethyl-3-(3-methyl-5-isoxazolyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonylbenzoic acid Traditional Name: 4-mesyl-2,5-dimethyl-3-(3-methylisoxazol-5-yl)benzoic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)C)C2=CC(=NO2)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)C)C2=CC(=NO2)C)S(=O)(=O)C

InChI

InChI=1S/C14H15NO5S/c1-7-5-10(14(16)17)9(3)12(13(7)21(4,18)19)11-6-8(2)15-20-11/h5-6H,1-4H3,(H,16,17)