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

Systemtic Name: 2-chloranyl-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(3-methyl-4,5-dihydroisoxazol-5-yl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-(3-methyl-2-isoxazolin-5-yl)benzoic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(C1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H12ClNO5S/c1-6-5-8(19-14-6)10-9(20(2,17)18)4-3-7(11(10)13)12(15)16/h3-4,8H,5H2,1-2H3,(H,15,16)