I59
Summary
| Name: | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID |
| Synonyms: | DPI59 |
| Formula: | C11 H11 O4 P |
| Formal charge: | 0 |
| Formula weight: | 238.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(S)-hydroxy-naphthalen-1-yl-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)c2cccc1ccccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](c1cccc2ccccc12)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](c1cccc2ccccc12)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2C(O)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | AXIBZLYWMBUYRV-NSHDSACASA-N |
