| 名称 | 内容 |
|---|---|
| kegg编号 | C19410 |
| pubchemid | 124490082 |
| name | 3,5-Dinitrotoluene |
| formula | C7H6N2O4 |
| structure |  |
| Isomeric_Smiles | C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)CI)C |
| Cannoical_Smiles | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)CI)C |
| Gotenzyme_Smiles | Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 |
