SE6
Summary
| Name: | [(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate |
| Formula: | C7 H14 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 288.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{E})-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H14O8P2/c1-2-3-7(6-8)4-5-14-17(12,13)15-16(9,10)11/h2,4,8H,1,3,5-6H2,(H,12,13)(H2,9,10,11)/b7-4+ |
| InChIKey | InChI | 1.06 | RHMQIVMXZYACOO-QPJJXVBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC\C(CC=C)=C\CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC/C(=C\COP(=O)(O)OP(=O)(O)O)/CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCC(=CCOP(=O)(O)OP(=O)(O)O)CO |
