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

Systemtic Name: 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 4-methoxy-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 4-methoxy-3-[(5-methyl-3-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 4-methoxy-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6S/c1-8-5-10(14-20-8)7-21(17,18)12-6-9(13(15)16)3-4-11(12)19-2/h3-6H,7H2,1-2H3,(H,15,16)