GZV
概要
| 表記: | (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid |
| 組成式: | C11 H8 F2 O4 |
| 電荷: | 0 |
| 化学式量: | 242.176 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 | (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-[2,6-bis(fluoranyl)-3-methyl-phenyl]-2-oxidanyl-4-oxidanylidene-but-2-enoic 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 | C(/C(c1c(ccc(C)c1F)F)=O)=C(\C(O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H8F2O4/c1-5-2-3-6(12)9(10(5)13)7(14)4-8(15)11(16)17/h2-4,15H,1H3,(H,16,17)/b8-4- |
| InChIKey | InChI | 1.03 | KQRLRRKIOCIEAP-YWEYNIOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(F)c(c1F)C(=O)/C=C(O)/C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(F)c(c1F)C(=O)C=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F |
