A1CHW
Summary
| Name: | 4-aminobenzene-1-sulfonic acid |
| Formula: | C6 H7 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 173.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-aminobenzene-1-sulfonic acid |
| OpenEye OEToolkits | 3.1.0.0 | 4-azanylbenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1ccc(cc1)S(O)(=O)=O |
| InChI | InChI | 1.06 | InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) |
| InChIKey | InChI | 1.06 | HVBSAKJJOYLTQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1N)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1N)S(=O)(=O)O |
