KQR
Summary
| Name: | 4-(thiophen-2-yl)benzoic acid |
| Formula: | C11 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 204.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(thiophen-2-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-thiophen-2-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)c1cccs1 |
| InChI | InChI | 1.03 | InChI=1S/C11H8O2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13) |
| InChIKey | InChI | 1.03 | CVDUBQJEQNRCIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)c2sccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2ccc(cc2)C(=O)O |
