| 名称 | 内容 |
|---|---|
| kegg编号 | C03098 |
| pubchemid | 5996 |
| name | Benzyl isothiocyanate |
| formula | C8H7NS |
| structure |  |
| Isomeric_Smiles | CC(C)C(C)C=CC(C)[C@H]1CCC2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| Cannoical_Smiles | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| Gotenzyme_Smiles | S=C=NCc1ccccc1 |
