RZO
Summary
| Name: | [bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid |
| Formula: | C6 H12 Cl2 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 329.009 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [bis(chloranyl)-[[(~{E})-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+ |
| InChIKey | InChI | 1.06 | ANMIMWNFRRKSMF-GORDUTHDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO |
