VR7
Summary
| Name: | 2-hydroxy-5-(thiophen-3-yl)benzoic acid |
| Formula: | C11 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 220.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxy-5-(thiophen-3-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanyl-5-thiophen-3-yl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1C(O)=O)O)c2ccsc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14) |
| InChIKey | InChI | 1.03 | ZGSXCSMJOZJLKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)c2cscc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)c2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2ccsc2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2ccsc2)C(=O)O)O |
