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

Systemtic Name: 2-methoxy-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 2-methoxy-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 2-methoxy-5-[(5-methyl-3-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2-methoxy-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 2-methoxy-5-[(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=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

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

InChI

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