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 |