BBS
Summary
| Name: | 4-TERT-BUTYLBENZENESULFONIC ACID |
| Formula: | C10 H14 O3 S |
| Formal charge: | 0 |
| Formula weight: | 214.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-tert-butylbenzenesulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 4-tert-butylbenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)c1ccc(cc1)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1ccc(cc1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CC(C)(C)c1ccc(cc1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1ccc(cc1)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1ccc(cc1)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13) |
| InChIKey | InChI | 1.03 | LZQMCUIWYRQLOG-UHFFFAOYSA-N |
