LNI
Summary
| Name: | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid |
| Synonyms: | Dimethylsulfoxonium propionate |
| Formula: | C5 H11 O3 S |
| Formal charge: | 1 |
| Formula weight: | 151.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H10O3S/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3/p+1 |
| InChIKey | InChI | 1.06 | LEKODCUQHSSNES-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S+](C)(=O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | C[S+](C)(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[S+](=O)(C)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[S+](=O)(C)CCC(=O)O |
