RD3
Summary
| Name: | {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid) |
| Formula: | C7 H11 O10 P3 |
| Formal charge: | 0 |
| Formula weight: | 348.078 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid) |
| OpenEye OEToolkits | 2.0.6 | [phosphono-(4-phosphonooxyphenyl)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11O10P3/c8-18(9,10)7(19(11,12)13)5-1-3-6(4-2-5)17-20(14,15)16/h1-4,7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16) |
| InChIKey | InChI | 1.03 | UEGWOUOGLFXILR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O |
