YJW
概要
| 表記: | 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL |
| 組成式: | C16 H13 N O3 |
| 電荷: | 0 |
| 化学式量: | 267.279 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 | 4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol |
| OpenEye OEToolkits | 1.7.2 | 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzene-1,3-diol |
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 | Oc3cc(O)c(c1noc(c1c2ccccc2)C)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(c2ccc(O)cc2O)c1c3ccccc3 |
| SMILES | CACTVS | 3.370 | Cc1onc(c2ccc(O)cc2O)c1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO3/c1-10-15(11-5-3-2-4-6-11)16(17-20-10)13-8-7-12(18)9-14(13)19/h2-9,18-19H,1H3 |
| InChIKey | InChI | 1.03 | KARJVPOSIFHKDG-UHFFFAOYSA-N |
