159
Summary
| Name: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID |
| Formula: | C9 H11 N O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 277.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-hydroxy-5-[(2-sulfanylethyl)sulfamoyl]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-hydroxy-5-(2-sulfanylethylsulfamoyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(ccc1O)S(=O)(=O)NCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(ccc1O)[S](=O)(=O)NCCS |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(ccc1O)[S](=O)(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO5S2/c11-8-2-1-6(5-7(8)9(12)13)17(14,15)10-3-4-16/h1-2,5,10-11,16H,3-4H2,(H,12,13) |
| InChIKey | InChI | 1.03 | UCQUNSCHVXCSCJ-UHFFFAOYSA-N |
