BSZ
Summary
| Name: | 3-chloro-4-methoxybenzenesulfonic acid |
| Formula: | C7 H7 Cl O4 S |
| Formal charge: | 0 |
| Formula weight: | 222.646 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-4-methoxybenzenesulfonic acid |
| OpenEye OEToolkits | 1.7.2 | 3-chloranyl-4-methoxy-benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(ccc1OC)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7ClO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H,9,10,11) |
| InChIKey | InChI | 1.03 | ZHGMKNONEQMBRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1Cl)[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1Cl)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1ccc(cc1Cl)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | COc1ccc(cc1Cl)S(=O)(=O)O |
