0MQ
Summary
| Name: | [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid |
| Formula: | C8 H19 N O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 287.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [2-(cyclohexylamino)-1-phosphono-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H19NO6P2/c10-16(11,12)8(17(13,14)15)6-9-7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | OAHUDYBQKIUBMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)C(CNC1CCCCC1)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)C(CNC1CCCCC1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O |
