0XI
Summary
| Name: | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate |
| Formula: | C10 H13 O4 P |
| Formal charge: | 0 |
| Formula weight: | 228.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.7 | [(~{E})-3-phenylbut-2-enyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C/C(=C\COP(=O)(O)O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13O4P/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,11,12,13)/b9-7+ |
| InChIKey | InChI | 1.03 | ZTZVGLLIAUIWHJ-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(=C/CO[P](O)(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(=CCO[P](O)(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\COP(=O)(O)O)/c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCOP(=O)(O)O)c1ccccc1 |
