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 |