911
Summary
| Name: | (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) |
| Synonyms: | Etidronic acid |
| Formula: | C2 H8 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 206.028 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) |
| OpenEye OEToolkits | 1.7.2 | (1-oxidanyl-1-phosphono-ethyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(O)(C)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9) |
| InChIKey | InChI | 1.03 | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(O)(P(=O)(O)O)P(=O)(O)O |
