Glycine cresol red
HIT218848109
sdf文件结构编辑类似物检索
HIT ID: HIT218848109
Cas No: 77031-64-2
分子式: C27H27N2NaO9S
分子量: 578.57
常用名: Glycine cresol red
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 2-[({5-[3-(3-{[(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-1,1-dioxo-3H-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl}methyl)amino]acetate
IUPAC: sodium 2-[({5-[3-(3-{[(carboxymethyl)amino]methyl}-4-hydroxy-5-methylphenyl)-1,1-dioxo-3H-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl}methyl)amino]acetate
SMILES: [Na+].Cc1cc(cc(CNCC(O)=O)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(CNCC([O-])=O)c1
SMILES: [Na+].Cc1cc(cc(CNCC(O)=O)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(CNCC([O-])=O)c1
InChI key: KWJIEINUUUGCEB-UHFFFAOYSA-M
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