Name: Xylenol orange,indicator disodium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219586781
Cas No:1202864-39-8
常用名:Xylenol orange,indicator disodium
常用名:Xylenol orange,indicator disodium
别名:二甲酚橙二钠盐
IUPAC:2-{[(5-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-5-methylphenyl]-1,1-dioxo-3H-2,1lambda6-benzoxathiol-3-yl}-2-hydroxy-3-methylphenyl)methyl](carboxymethyl)amino}acetic acid
IUPAC:2-{[(5-{3-[3-({bis[2-oxo-2-(sodiooxy)ethyl]amino}methyl)-4-hydroxy-5-methylphenyl]-1,1-dioxo-3H-2,1lambda6-benzoxathiol-3-yl}-2-hydroxy-3-methylphenyl)methyl](carboxymethyl)amino}acetic acid
InChI key:VSTGRFJOMRKXJV-UHFFFAOYSA-L

分子式:C31H30N2Na2O13S
分子量:716.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1cc(cc(CN(CC(O)=O)CC(O)=O)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c1
SMILES:Cc1cc(cc(CN(CC(O)=O)CC(O)=O)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c1

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