MOB
概要
| 表記: | 2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID |
| 組成式: | C15 H14 N2 O5 |
| 電荷: | 0 |
| 化学式量: | 302.282 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-dimethoxyphenyl)diazenyl]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-hydroxy-3,5-dimethoxy-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(OC)c(O)c(OC)c1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.341 | COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+ |
| InChIKey | InChI | 1.03 | OUUSCQGLQHBVJX-WUKNDPDISA-N |
