3,5-dimethyl-2H-1,2-oxazole-3-sulfonic acid

Systemtic Name: 3,5-dimethyl-2H-1,2-oxazole-3-sulfonic acid Openeye Name: 3,5-dimethyl-2H-isoxazole-3-sulfonic acid CAS Name: 3,5-dimethyl-2H-isoxazole-3-sulfonic acid IUPAC Name: 3,5-dimethyl-2H-1,2-oxazole-3-sulfonic acid Traditional Name: 3,5-dimethyl-4-isoxazoline-3-sulfonic acid Formula: C5H9NO4S MolecularWeight: 179.19426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NO1)(C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(NO1)(C)S(=O)(=O)O

InChI

InChI=1S/C5H9NO4S/c1-4-3-5(2,6-10-4)11(7,8)9/h3,6H,1-2H3,(H,7,8,9)