252
Summary
| Name: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID) |
| Formula: | C9 H22 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 304.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1-hydroxynonane-1,1-diyl)bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | (1-hydroxy-1-phosphono-nonyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(CCCCCCCC)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16) |
| InChIKey | InChI | 1.03 | COHUUYPEYRMWTH-UHFFFAOYSA-N |
