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

Systemtic Name: 2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-(2-isoxazolin-3-yl)-4-mesyl-benzoic acid Formula: C11H10ClNO5S MolecularWeight: 303.7188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C2=NOCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C2=NOCC2

InChI

InChI=1S/C11H10ClNO5S/c1-19(16,17)8-3-2-6(11(14)15)10(12)9(8)7-4-5-18-13-7/h2-3H,4-5H2,1H3,(H,14,15)