X1S
Summary
| Name: | 3-SULFOPROPANOIC ACID |
| Formula: | C3 H6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 154.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-sulfopropanoic acid |
| OpenEye OEToolkits | 1.6.1 | 3-sulfopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCS(=O)(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CC[S](O)(=O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)CC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C(CS(=O)(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C(CS(=O)(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H6O5S/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H,6,7,8) |
| InChIKey | InChI | 1.03 | OURSFPZPOXNNKX-UHFFFAOYSA-N |
