8XZ
Summary
| Name: | [(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid |
| Formula: | C13 H19 O4 P S |
| Formal charge: | 0 |
| Formula weight: | 302.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19O4PS/c1-11(14)19-10-13(18(15,16)17)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H2,15,16,17)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | YKOSPDLKXQRIKT-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)SC[C@@H](CCCc1ccccc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)SC[CH](CCCc1ccccc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)SCC(CCCc1ccccc1)P(=O)(O)O |
