6W6
Summary
| Name: | 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid |
| Formula: | C9 H5 Cl2 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 262.113 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H5Cl2NO2S/c10-6-1-2-7(11)12(6)5-3-4-15-8(5)9(13)14/h1-4H,(H,13,14) |
| InChIKey | InChI | 1.03 | BQBZZKAKSYADDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sccc1n2c(Cl)ccc2Cl |
| SMILES | CACTVS | 3.385 | OC(=O)c1sccc1n2c(Cl)ccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl |
