H23
Summary
| Name: | (1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID) |
| Formula: | C12 H28 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 346.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1-hydroxydodecane-1,1-diyl)bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | (1-hydroxy-1-phosphono-dodecyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(CCCCCCCCCCC)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19) |
| InChIKey | InChI | 1.03 | KKVZONPEMODBBG-UHFFFAOYSA-N |
