YI1
概要
| 表記: | [4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM |
| 組成式: | C14 H15 F2 N O4 P |
| 電荷: | 1 |
| 化学式量: | 330.244 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.6.1 | [4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium |
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_CANONICAL | CACTVS | 3.352 | [NH3+]OCc1ccc(cc1)c2cccc(c2)C(F)(F)[P](O)(O)=O |
| SMILES | CACTVS | 3.352 | [NH3+]OCc1ccc(cc1)c2cccc(c2)C(F)(F)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+] |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C14H14F2NO4P/c15-14(16,22(18,19)20)13-3-1-2-12(8-13)11-6-4-10(5-7-11)9-21-17/h1-8H,9H2,17H3,(H-,18,19,20)/p+1 |
| InChIKey | InChI | 1.03 | FWYIUZIHUWHORI-UHFFFAOYSA-O |
