1QX
Summary
| Name: | dodecyl hydrogen (S)-(3-azidopropyl)phosphonate |
| Formula: | C15 H32 N3 O3 P |
| Formal charge: | 0 |
| Formula weight: | 333.407 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | dodecyl hydrogen (S)-(3-azidopropyl)phosphonate |
| OpenEye OEToolkits | 1.7.6 | 3-azidopropyl(dodecoxy)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCC)O |
| InChI | InChI | 1.03 | InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | AGXZEEFRFDZECI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-] |
| SMILES | CACTVS | 3.370 | CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O |
