HF1
Summary
| Name: | 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID |
| Formula: | C10 H12 F O4 P S |
| Formal charge: | 0 |
| Formula weight: | 278.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(1E)-4-[(5-fluoro-2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(5-fluoro-2-hydroxy-phenyl)sulfanylbut-1-enylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1cc(SCC/C=C/P(=O)(O)O)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(F)cc1SCC\C=C\[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | Oc1ccc(F)cc1SCCC=C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)SCCC=CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)SCCC=CP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+ |
| InChIKey | InChI | 1.03 | UXOYJQMPYTYCMG-ORCRQEGFSA-N |
