OX5
概要
| 表記: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME |
| 組成式: | C13 H17 N O3 |
| 電荷: | 0 |
| 化学式量: | 235.279 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-hydroxybenzaldehyde O-(3,3-dimethylbutanoyl)oxime |
| OpenEye OEToolkits | 1.5.0 | [(4-hydroxyphenyl)methylideneamino] 3,3-dimethylbutanoate |
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\N=C\c1ccc(O)cc1)CC(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)CC(=O)O/N=C/c1ccc(O)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)(C)CC(=O)ON=Cc1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(=O)ON=Cc1ccc(cc1)O |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+ |
| InChIKey | InChI | 1.03 | IRHAIEVALGHVLW-NTEUORMPSA-N |
