0MW
Summary
| Name: | [2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| Formula: | C8 H21 N O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 289.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.7.6 | [2-(hexylamino)-1-phosphono-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(CNCCCCCC)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | QDLXIUDMSHZYCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCNCC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCNCC(P(=O)(O)O)P(=O)(O)O |
