HEE
Summary
| Name: | N-HEXYLPHOSPHONATE ETHYL ESTER |
| Formula: | C8 H19 O3 P |
| Formal charge: | 0 |
| Formula weight: | 194.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl hydrogen (S)-hexylphosphonate |
| OpenEye OEToolkits | 1.5.0 | ethoxy-hexyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCC)CCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[P@@](O)(=O)OCC |
| SMILES | CACTVS | 3.341 | CCCCCC[P](O)(=O)OCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[P@](=O)(O)OCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCP(=O)(O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10) |
| InChIKey | InChI | 1.03 | XPLOQMVUXWZLET-UHFFFAOYSA-N |
