R67
Summary
| Name: | 3-(methylsulfonyl)-2-oxopropanoic acid |
| Formula: | C4 H6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 166.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(methylsulfonyl)-2-oxopropanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-methylsulfonyl-2-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(CC(=O)C(O)=O)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O5S/c1-10(8,9)2-3(5)4(6)7/h2H2,1H3,(H,6,7) |
| InChIKey | InChI | 1.03 | KHOMRFGIBYBMCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CC(=O)C(=O)O |
