JQE
Summary
| Name: | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid |
| Formula: | C10 H6 Cl2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 261.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H6Cl2O2S/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(12)15-8/h1-3H,4H2,(H,13,14) |
| InChIKey | InChI | 1.03 | BCQFHYKPVHGTMB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O |
