9X6
Summary
| Name: | thiodiglycolic acid |
| Synonyms: | 2-(2-hydroxy-2-oxoethylsulfanyl)ethanoic acid |
| Formula: | C4 H6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 150.153 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2'-sulfanediyldiacetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-(2-hydroxy-2-oxoethylsulfanyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CSCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) |
| InChIKey | InChI | 1.03 | UVZICZIVKIMRNE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSCC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CSCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(C(=O)O)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C(=O)O)SCC(=O)O |
