9E6
Summary
Name: | 5-chloro thiophene-3-carboxylic acid |
Synonyms: | 5-chloranylthiophene-3-carboxylic acid |
Formula: | C5 H3 Cl O2 S |
Formal charge: | 0 |
Formula weight: | 162.594 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 5-chloranylthiophene-3-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8) |
InChIKey | InChI | 1.03 | POVPYUUZOZBLOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(Cl)c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1csc(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(csc1Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(csc1Cl)C(=O)O |