BNT
概要
| 表記: | 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE |
| 別名: | 2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE DBMIB |
| 組成式: | C10 H10 Br2 O2 |
| 電荷: | 0 |
| 化学式量: | 321.993 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione |
| OpenEye OEToolkits | 1.5.0 | 2,5-dibromo-3-methyl-6-propan-2-yl-cyclohexa-2,5-diene-1,4-dione |
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 | 10.04 | BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C |
| SMILES | CACTVS | 3.341 | CC(C)C1=C(Br)C(=O)C(=C(Br)C1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3 |
| InChIKey | InChI | 1.03 | GHHZELQYJPWSMG-UHFFFAOYSA-N |
