A1CLK
Summary
| Name: | 3-hydroxy-2-oxypropane sulfonate |
| Formula: | C3 H6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 154.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-hydroxy-2-oxopropane-1-sulfonic acid |
| OpenEye OEToolkits | 3.1.0.0 | 3-oxidanyl-2-oxidanylidene-propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCC(=O)CS(=O)(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C3H6O5S/c4-1-3(5)2-9(6,7)8/h4H,1-2H2,(H,6,7,8) |
| InChIKey | InChI | 1.06 | MZULZEBLIRPPES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | OCC(=O)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(C(=O)CS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(C(=O)CS(=O)(=O)O)O |
