LSA
Summary
| Name: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE |
| Synonyms: | SACCHARIN |
| Formula: | C7 H5 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 183.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,2-benzisothiazol-3(2H)-one 1,1-dioxide |
| OpenEye OEToolkits | 1.5.0 | 1,1-dioxo-1,2-benzothiazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1ccccc1S(=O)(=O)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1N[S](=O)(=O)c2ccccc12 |
| SMILES | CACTVS | 3.341 | O=C1N[S](=O)(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)NS2(=O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)NS2(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) |
| InChIKey | InChI | 1.03 | CVHZOJJKTDOEJC-UHFFFAOYSA-N |
