028
Summary
| Name: | (1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID) |
| Formula: | C7 H18 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 276.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1-hydroxyheptane-1,1-diyl)bis(phosphonic acid) |
| OpenEye OEToolkits | 1.5.0 | (1-hydroxy-1-phosphono-heptyl)phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)(CCCCCC)P(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | InChI | 1.03 | IJEGNOYPWRBKAE-UHFFFAOYSA-N |
