3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]benzoic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H13NO5S/c1-8-12(9(2)19-14-8)7-20(17,18)11-5-3-4-10(6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)