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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C18203
pubchemid 96024418
name 2,2',4,4',5-Pentabromodiphenyl ether
formula C12H5Br5O
structure
Isomeric_Smiles CN(C[C@@H](CN1C=C(C=N1)[N+](=O)[O-])O)C2=CC=CC3=CC=CC=C32
Cannoical_Smiles CN(CC(CN1C=C(C=N1)[N+](=O)[O-])O)C2=CC=CC3=CC=CC=C32
Gotenzyme_Smiles Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1