8XW
Summary
| Name: | [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid |
| Formula: | C14 H21 O4 P S |
| Formal charge: | 0 |
| Formula weight: | 316.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21O4PS/c1-12(15)20-11-14(19(16,17)18)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H2,16,17,18)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | BAPUELVGVSGCDR-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)SC[C@@H](CCCCc1ccccc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)SC[CH](CCCCc1ccccc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)SCC(CCCCc1ccccc1)P(=O)(O)O |
