NRD
Summary
| Name: | (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid |
| Formula: | C6 H17 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 277.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | InChI | 1.03 | PUUSSSIBPPTKTP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN |
