F5C
概要
| 表記: | penta-fluorocinnamic acid |
| 組成式: | C9 H3 F5 O2 |
| 電荷: | 0 |
| 化学式量: | 238.111 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 | (2E)-3-(pentafluorophenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.9.2 | (E)-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]prop-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@H](=Cc1c(F)c(F)c(c(c1F)F)F)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1+ |
| InChIKey | InChI | 1.03 | IUUKDBLGVZISGW-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1c(F)c(F)c(F)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(=CC(=O)O)c1c(c(c(c(c1F)F)F)F)F |
