C6J
Summary
| Name: | [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid |
| Formula: | C8 H14 N O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 282.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14NO6P2/c1-9-5-3-2-4-7(9)6-8(16(10,11)12)17(13,14)15/h2-5,8H,6H2,1H3,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | ISOZKETVPBWGJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[n]1ccccc1CC([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | C[n]1ccccc1CC([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O |
