XYN
Summary
| Name: | 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid |
| Synonyms: | 3-(carboxymethylthio)-2-oxopropanoic acid |
| Formula: | C5 H6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 178.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-(carboxymethylsulfanyl)-2-oxo-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CSCC(=O)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)CSCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(C(=O)C(=O)O)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(=O)C(=O)O)SCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | FDUKYMHTXNDQPD-UHFFFAOYSA-N |
