U4R
Summary
| Name: | (2E)-but-2-en-1-yl dihydrogen phosphate |
| Formula: | C4 H9 O4 P |
| Formal charge: | 0 |
| Formula weight: | 152.086 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-but-2-en-1-yl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.7 | [(~{E})-but-2-enyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OC\C=C\C |
| InChI | InChI | 1.06 | InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+ |
| InChIKey | InChI | 1.06 | KCUTZTDKOSEILP-NSCUHMNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C/C=C/CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC=CCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C/COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=CCOP(=O)(O)O |
