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

Systemtic Name: 2-methyl-4-methylsulfonyl-3-(1,2-oxazol-3-yl)benzoic acid Openeye Name: 3-isoxazol-3-yl-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-(3-isoxazolyl)-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 2-methyl-4-methylsulfonyl-3-(1,2-oxazol-3-yl)benzoic acid Traditional Name: 3-isoxazol-3-yl-4-mesyl-2-methyl-benzoic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H11NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-6H,1-2H3,(H,14,15)