54O
Summary
| Name: | 3-hydroxypropane-1-sulfonic acid |
| Formula: | C3 H8 O4 S |
| Formal charge: | 0 |
| Formula weight: | 140.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxypropane-1-sulfonic acid |
| OpenEye OEToolkits | 1.9.2 | 3-oxidanylpropane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CS(=O)(O)=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C3H8O4S/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H,5,6,7) |
| InChIKey | InChI | 1.03 | WQPMYSHJKXVTME-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | OCCC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CO)CS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CO)CS(=O)(=O)O |
