U5O
Summary
| Name: | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate |
| Formula: | C5 H11 O4 P |
| Formal charge: | 0 |
| Formula weight: | 166.112 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.7 | [(~{E})-2-methylbut-2-enyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(\C)=C\C |
| InChI | InChI | 1.06 | InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+ |
| InChIKey | InChI | 1.06 | LEHUQIAIMZSVST-HWKANZROSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C/C=C(C)/CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC=C(C)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C(\C)/COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C(C)COP(=O)(O)O |
