| 名称 | 内容 |
|---|---|
| kegg编号 | C18960 |
| pubchemid | 124489632 |
| name | Isobenzan |
| formula | C9H4Cl8O |
| structure |  |
| Isomeric_Smiles | CC1=COC2=C1[C@H]([C@H]3C(=C)[C@@H]4C[C@@H]4[C@@]3(C2)C)O |
| Cannoical_Smiles | CC1=COC2=C1C(C3C(=C)C4CC4C3(C2)C)O |
| Gotenzyme_Smiles | ClC1=C(Cl)C2(Cl)C3C(Cl)OC(Cl)C3C1(Cl)C2(Cl)Cl |
