PMS
Summary
| Name: | phenylmethanesulfonic acid |
| Formula: | C7 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 172.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | phenylmethanesulfonic acid |
| OpenEye OEToolkits | 1.6.1 | phenylmethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | O[S](=O)(=O)Cc1ccccc1 |
| SMILES | CACTVS | 3.352 | O[S](=O)(=O)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10) |
| InChIKey | InChI | 1.03 | NIXKBAZVOQAHGC-UHFFFAOYSA-N |
