A1AZH
Summary
| Name: | (2R)-2,3-dihydroxypropane-1-sulfonic acid |
| Formula: | C3 H8 O5 S |
| Formal charge: | 0 |
| Formula weight: | 156.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,3-dihydroxypropane-1-sulfonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2,3-bis(oxidanyl)propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)CS(=O)(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m1/s1 |
| InChIKey | InChI | 1.06 | YPFUJZAAZJXMIP-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H](CS(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(CS(=O)(=O)O)O)O |
