O0L
概要
| 表記: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol |
| 組成式: | C14 H12 N4 O2 |
| 電荷: | 0 |
| 化学式量: | 268.271 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 | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol |
| OpenEye OEToolkits | 2.0.7 | 3-[4-(hydroxymethyl)phenyl]-2-(1~{H}-1,2,3,4-tetrazol-5-yl)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 | OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | MHFBCDLPGNNTMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO |
