TAE-1
HIT211999901
sdf文件结构编辑类似物检索
HIT ID: HIT211999901
Cas No: 1414469-59-2
分子式: C39H51I3N6O9
分子量: 1128.583
常用名: TAE-1
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: -6.0276937
IUPAC: [2-(4-{[4,6-bis(4-{[2-(trimethylazaniumyl)ethoxy]carbonyl}phenoxy)-1,3,5-triazin-2-yl]oxy}benzoyloxy)ethyl]trimethylazanium triiodide
IUPAC: [2-(4-{[4,6-bis(4-{[2-(trimethylazaniumyl)ethoxy]carbonyl}phenoxy)-1,3,5-triazin-2-yl]oxy}benzoyloxy)ethyl]trimethylazanium triiodide
SMILES: [I-].[I-].[I-].C[N+](C)(C)CCOC(=O)c1ccc(Oc2nc(Oc3ccc(cc3)C(=O)OCC[N+](C)(C)C)nc(Oc3ccc(cc3)C(=O)OCC[N+](C)(C)C)n2)cc1
SMILES: [I-].[I-].[I-].C[N+](C)(C)CCOC(=O)c1ccc(Oc2nc(Oc3ccc(cc3)C(=O)OCC[N+](C)(C)C)nc(Oc3ccc(cc3)C(=O)OCC[N+](C)(C)C)n2)cc1
InChI key: SGOMELGTKOLYEZ-UHFFFAOYSA-K
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