POT
Summary
| Name: | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE |
| Synonyms: | (RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE |
| Formula: | C11 H16 Cl O3 P |
| Formal charge: | 0 |
| Formula weight: | 262.67 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-2-(chloro-methyl-phosphoryl)oxybutoxy]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClP(=O)(OC(COc1ccccc1)CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@H](COc1ccccc1)O[P@](C)(Cl)=O |
| SMILES | CACTVS | 3.341 | CC[CH](COc1ccccc1)O[P](C)(Cl)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(COc1ccccc1)OP(=O)(C)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | YEIXDWIEYXZUBR-MGPLVRAMSA-N |
