ATJ
Summary
Name: | ETHYL HYDROGEN PHOSPHONATE |
Formula: | C2 H7 O3 P |
Formal charge: | 0 |
Formula weight: | 110.049 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | ethyl hydrogen (R)-phosphonate |
OpenEye OEToolkits | 1.5.0 | ethoxyphosphinic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)OCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCO[P@@H](O)=O |
SMILES | CACTVS | 3.341 | CCO[PH](O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCO[P@H](=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOP(=O)O |
InChI | InChI | 1.03 | InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4) |
InChIKey | InChI | 1.03 | VUERQRKTYBIULR-UHFFFAOYSA-N |