L69
Summary
| Name: | [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid |
| Synonyms: | L-690330 |
| Formula: | C8 H12 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 298.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | JKOCAAWWDVHWKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O |
