0M8
Summary
| Name: | [2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| Formula: | C9 H23 N O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 303.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.7.6 | [2-(heptylamino)-1-phosphono-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(CNCCCCCCC)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16) |
| InChIKey | InChI | 1.03 | WRMHTOUCTOHPIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O |
