DMB
概要
| 表記: | 2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID |
| 組成式: | C15 H14 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 270.283 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-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-hydroxy-3,5-dimethyl-phenyl)diazenylbenzoic acid |
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 | O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(cc(C)c1O)N=Nc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.341 | Cc1cc(cc(C)c1O)N=Nc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+ |
| InChIKey | InChI | 1.03 | ZMDQWZFZPGJFPM-WUKNDPDISA-N |
