4BR
Summary
| Name: | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE |
| Formula: | C9 H12 O3 P |
| Formal charge: | -1 |
| Formula weight: | 199.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [2-(4-methylphenoxy)ethyl]phosphinate |
| OpenEye OEToolkits | 1.5.0 | 2-(4-methylphenoxy)ethylphosphinate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P(=O)CCOc1ccc(cc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(OCC[PH]([O-])=O)cc1 |
| SMILES | CACTVS | 3.341 | Cc1ccc(OCC[PH]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)OCC[P@H](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)OCCP(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H13O3P/c1-8-2-4-9(5-3-8)12-6-7-13(10)11/h2-5,13H,6-7H2,1H3,(H,10,11)/p-1 |
| InChIKey | InChI | 1.03 | SATOOOGJLDLPLZ-UHFFFAOYSA-M |
