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

Systemtic Name: 2-chloranyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(4,4-dimethyl-5H-oxazol-2-yl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(4,4-dimethyl-5H-oxazol-2-yl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-(4,4-dimethyl-2-oxazolin-2-yl)-4-mesyl-benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=N1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1(COC(=N1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C13H14ClNO5S/c1-13(2)6-20-11(15-13)9-8(21(3,18)19)5-4-7(10(9)14)12(16)17/h4-5H,6H2,1-3H3,(H,16,17)