生物智能计算平台


化合物信息

名称 内容
kegg编号 C19403
pubchemid 124490075
name 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
formula C16H12N2O4
structure
Isomeric_Smiles C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@]2([C@H](C[C@]4([C@@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F)F
Cannoical_Smiles CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C
Gotenzyme_Smiles COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O