Blue Tetrazolium
HIT217903100
sdf文件结构编辑类似物检索
HIT ID: HIT217903100
Cas No: 1871-22-3
分子式: C40H32Cl2N8O2
分子量: 727.65
常用名: Blue Tetrazolium
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 14.4
IUPAC: 3-[4'-(2,5-diphenyl-3H-1,2lambda5,3,4-tetrazol-2-ylium-3-yl)-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl]-2,5-diphenyl-3H-1,2lambda5,3,4-tetrazol-2-ylium dichloride
IUPAC: 3-[4'-(2,5-diphenyl-3H-1,2lambda5,3,4-tetrazol-2-ylium-3-yl)-3,3'-dimethoxy-[1,1'-biphenyl]-4-yl]-2,5-diphenyl-3H-1,2lambda5,3,4-tetrazol-2-ylium dichloride
SMILES: [Cl-].[Cl-].COc1cc(ccc1-n1nc(n[n+]1-c1ccccc1)-c1ccccc1)-c1ccc(c(OC)c1)-n1nc(n[n+]1-c1ccccc1)-c1ccccc1
SMILES: [Cl-].[Cl-].COc1cc(ccc1-n1nc(n[n+]1-c1ccccc1)-c1ccccc1)-c1ccc(c(OC)c1)-n1nc(n[n+]1-c1ccccc1)-c1ccccc1
InChI key: MUUHXGOJWVMBDY-UHFFFAOYSA-L
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