C2Z
概要
| 表記: | 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid |
| 別名: | [5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid |
| 組成式: | C7 H6 N O6 P |
| 電荷: | 0 |
| 化学式量: | 231.099 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | [5-(5-hydroxy-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [5-(5-oxidanyl-1,2-oxazol-3-yl)furan-2-yl]phosphonic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OP(c1ccc(o1)c2cc(O)on2)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | BRLJHMCTDKAUAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1onc(c1)c2oc(cc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Oc1onc(c1)c2oc(cc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(oc1c2cc(on2)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(oc1c2cc(on2)O)P(=O)(O)O |
