RD1
Summary
| Name: | {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid) |
| Formula: | C11 H13 O10 P3 |
| Formal charge: | 0 |
| Formula weight: | 398.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid) |
| OpenEye OEToolkits | 2.0.6 | [phosphono-(6-phosphonooxynaphthalen-2-yl)methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc2c1cc(cc2)C(P(O)(=O)O)P(O)(=O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13O10P3/c12-22(13,14)11(23(15,16)17)9-2-1-8-6-10(21-24(18,19)20)4-3-7(8)5-9/h1-6,11H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20) |
| InChIKey | InChI | 1.03 | FARIWUCMYLLPRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O |
