0F1
Summary
| Name: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid |
| Formula: | C9 H4 Cl2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.098 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,6-dichloro-1-benzothiophene-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2sc1cc(Cl)ccc1c2Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13) |
| InChIKey | InChI | 1.03 | AAHPIJMQJAZYTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1sc2cc(Cl)ccc2c1Cl |
| SMILES | CACTVS | 3.370 | OC(=O)c1sc2cc(Cl)ccc2c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)sc(c2Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)sc(c2Cl)C(=O)O |
