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

Systemtic Name: 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoic acid CAS Name: 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonylbenzoic acid IUPAC Name: 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoic acid Traditional Name: 3-(2-isoxazolin-3-yl)-4-mesyl-2-methyl-benzoic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)