JMG
Summary
| Name: | 5-phenylthiophene-2-carboxylic 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 | 5-phenylthiophene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 5-phenylthiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c1ccc(C(O)=O)s1)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13) |
| InChIKey | InChI | 1.03 | QGMFBCDNJUZQBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc(cc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc(cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(s2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(s2)C(=O)O |
