L2Y
概要
| 表記: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride |
| 別名: | A-230 (Nerve agent) |
| 組成式: | C7 H16 F N2 O P |
| 電荷: | 0 |
| 化学式量: | 194.187 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 | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-diethyl-~{N}'-[fluoranyl(methyl)phosphoryl]ethanimidamide |
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 | CCN(CC)C(\C)=N\P(C)(=O)F |
| InChI | InChI | 1.03 | InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | OUJDIWHRYQBZSR-CRALRDPISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(C)=N[P@](C)(F)=O |
| SMILES | CACTVS | 3.385 | CCN(CC)C(C)=N[P](C)(F)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)/C(=N/[P@](=O)(C)F)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=NP(=O)(C)F)C |
