For research use only. Not for therapeutic Use.
| Catalog Number | R056775 |
| CAS Number | 181696-35-5 |
| Synonyms | 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonic Acid; Valdecoxib Impurity D; |
| Molecular Formula | C16H13NO4S |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid |
| InChI | InChI=1S/C16H13NO4S/c1-11-15(12-7-9-14(10-8-12)22(18,19)20)16(17-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20) |
| InChIKey | LLWOSCPRJRUVST-UHFFFAOYSA-N |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O |
