SDF
[(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid
| Created: | 2009-08-19 |
| Last modified: | 2021-03-13 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 1 |
| Bond Count | 21 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
|---|---|
| Name | [(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid |
| Synonyms | alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acid |
| Systematic Name (OpenEye OEToolkits) | [(2,4-dichlorophenyl)-sulfanyl-methyl]phosphonic acid |
| Formula | C7 H7 Cl2 O3 P S |
| Molecular Weight | 273.073 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1cc(Cl)ccc1C(S)P(=O)(O)O |
| SMILES | CACTVS | 3.352 | O[P](O)(=O)[CH](S)c1ccc(Cl)cc1Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S |
| Canonical SMILES | CACTVS | 3.352 | O[P](O)(=O)[C@H](S)c1ccc(Cl)cc1Cl |
| Canonical 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 46173033 |
