A1EDZ
Summary
| Name: | 4-oxidanylidene-4-thiophen-2-yl-butanoic acid |
| Synonyms: | 3-(2-Thenoyl)propionic acid |
| Formula: | C8 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 184.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-oxidanylidene-4-thiophen-2-yl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11) |
| InChIKey | InChI | 1.06 | ULJMYWHLMLRYSO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)c1sccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)CCC(=O)O |
