| SpectraBase Spectrum ID |
5XsfUaRdoWc |
| Name |
4-[2-(4-Methylphenyl)-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl]pentanoic acid |
| Alternate Name(s) |
4-(1,1-dioxido-3-oxo-2-(p-tolyl)-2,3-dihydroisothiazol-4-yl)pentanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17NO5S |
| InChI |
InChI=1S/C15H17NO5S/c1-10-3-6-12(7-4-10)16-15(19)13(9-22(16,20)21)11(2)5-8-14(17)18/h3-4,6-7,9,11H,5,8H2,1-2H3,(H,17,18) |
| InChIKey |
ZWZCDQGFUYGERV-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002_1521-3897(200009)342_7_675 |
| Molecular Weight |
323.363 g/mol |
| SMILES |
OC(CCC(C1=CS(=O)(=O)N(C1=O)c1ccc(cc1)C)C)=O |
| SPLASH |
splash10-014l-6931000000-aa813244f2d60c97d3d0 |
| Source of Spectrum |
JF-342-680-18b |
| Wiley ID |
1767071 |
![4-[2-(4-Methylphenyl)-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl]pentanoic acid](/api/spectrum/5XsfUaRdoWc/structure.png?h=300&w=458 "4-[2-(4-Methylphenyl)-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl]pentanoic acid")
