ITO
Summary
| Name: | [6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid |
| Formula: | C8 H6 Cl2 N2 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 358.997 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18) |
| InChIKey | InChI | 1.06 | BHYCREODMJPRFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Cl)Cl)nc(c(n2)P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Cl)Cl)nc(c(n2)P(=O)(O)O)P(=O)(O)O |
