HIB
概要
| 表記: | 4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-METHYLBENZOIC ACID |
| 組成式: | C10 H11 I O5 |
| 電荷: | 0 |
| 化学式量: | 338.096 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-hydroxy-3-iodo-5,6-dimethoxy-2-methylbenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-hydroxy-5-iodo-2,3-dimethoxy-6-methyl-benzoic 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 | 10.04 | O=C(O)c1c(OC)c(OC)c(O)c(I)c1C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1c(O)c(I)c(C)c(C(O)=O)c1OC |
| SMILES | CACTVS | 3.341 | COc1c(O)c(I)c(C)c(C(O)=O)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11IO5/c1-4-5(10(13)14)8(15-2)9(16-3)7(12)6(4)11/h12H,1-3H3,(H,13,14) |
| InChIKey | InChI | 1.03 | JFNYBTUZUIKXSC-UHFFFAOYSA-N |
