QI5
概要
表記: | 2,3,4,5,6-pentafluoro-N-hydroxybenzamide |
組成式: | C7 H2 F5 N O2 |
電荷: | 0 |
化学式量: | 227.088 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 | 2,3,4,5,6-pentafluoro-N-hydroxybenzamide |
OpenEye OEToolkits | 2.0.7 | 2,3,4,5,6-pentakis(fluoranyl)-~{N}-oxidanyl-benzamide |
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 | Fc1c(c(F)c(F)c(F)c1F)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14) |
InChIKey | InChI | 1.03 | MANBOMDQSILBJG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1c(F)c(F)c(F)c(F)c1F |
SMILES | CACTVS | 3.385 | ONC(=O)c1c(F)c(F)c(F)c(F)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1(c(c(c(c(c1F)F)F)F)F)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1(c(c(c(c(c1F)F)F)F)F)C(=O)NO |