SPA
Summary
| Name: | THIOPHENEACETIC ACID |
| Formula: | C6 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 142.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | thiophen-2-ylacetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-thiophen-2-ylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc1sccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1sccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) |
| InChIKey | InChI | 1.03 | SMJRBWINMFUUDS-UHFFFAOYSA-N |
