ND8
Summary
| Name: | benzothiophene 2 carboxylic acid |
| Formula: | C9 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 178.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-benzothiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) |
| InChIKey | InChI | 1.03 | DYSJMQABFPKAQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(s2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cc(s2)C(=O)O |
