SDF
Summary
| Name: | [(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid |
| Synonyms: | alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acid |
| Formula: | C7 H7 Cl2 O3 P S |
| Formal charge: | 0 |
| Formula weight: | 273.073 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | [(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid |
| OpenEye OEToolkits | 1.6.1 | [(2,4-dichlorophenyl)-sulfanyl-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1cc(Cl)ccc1C(S)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[P](O)(=O)[C@H](S)c1ccc(Cl)cc1Cl |
| SMILES | CACTVS | 3.352 | O[P](O)(=O)[CH](S)c1ccc(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S |
| InChI | InChI | 1.03 | InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,7,14H,(H2,10,11,12)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | WJVBVZOYOCLGPI-SSDOTTSWSA-N |
