F16
Summary
| Name: | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE |
| Formula: | C9 H7 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 225.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(3-hydroxyphenyl)isothiazol-3(2H)-one 1,1-dioxide |
| OpenEye OEToolkits | 1.5.0 | 5-(3-hydroxyphenyl)-1,1-dioxo-1,2-thiazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C=C(c1cccc(O)c1)S(=O)(=O)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cccc(c1)C2=CC(=O)N[S]2(=O)=O |
| SMILES | CACTVS | 3.341 | Oc1cccc(c1)C2=CC(=O)N[S]2(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12) |
| InChIKey | InChI | 1.03 | FJABEDRGNJSWCC-UHFFFAOYSA-N |
