7G2
概要
| 表記: | 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol |
| 組成式: | C13 H10 F N O3 |
| 電荷: | 0 |
| 化学式量: | 247.222 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 | 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol |
| OpenEye OEToolkits | 2.0.6 | 4-(3-fluoranyl-4-oxidanyl-phenyl)-2-[(~{E})-hydroxyiminomethyl]phenol |
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 | Oc1c(cc(cc1)c2ccc(c(c2)\C=N\O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-7,16-18H/b15-7+ |
| InChIKey | InChI | 1.03 | ZDSSMGFPICRDHW-VIZOYTHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O/N=C/c1cc(ccc1O)c2ccc(O)c(F)c2 |
| SMILES | CACTVS | 3.385 | ON=Cc1cc(ccc1O)c2ccc(O)c(F)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1c2ccc(c(c2)F)O)C=NO)O |
