0HO
Summary
| Name: | 2,1,3-benzothiadiazole-5-carboxylic acid |
| Formula: | C7 H4 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 180.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,1,3-benzothiadiazole-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2,1,3-benzothiadiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2nsnc2c1 |
| InChI | InChI | 1.03 | InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11) |
| InChIKey | InChI | 1.03 | YHMXJZVGBCACMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2nsnc2c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc2nsnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)nsn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)nsn2 |
