Acid yellow 61
HIT218847338
sdf文件结构编辑类似物检索
HIT ID: HIT218847338
Cas No: 12217-38-8
分子式: C24H20Cl2N5NaO6S2
分子量: 632.46
常用名: Acid yellow 61
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 2,5-dichloro-4-{4-[(1E)-2-{2-[ethyl(phenyl)sulfamoyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonate
IUPAC: sodium 2,5-dichloro-4-{4-[(1E)-2-{2-[ethyl(phenyl)sulfamoyl]phenyl}diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonate
SMILES: [Na+].CCN(c1ccccc1)S(=O)(=O)c1ccccc1\N=N\C1C(C)=NN(C1=O)c1cc(Cl)c(cc1Cl)S([O-])(=O)=O
SMILES: [Na+].CCN(c1ccccc1)S(=O)(=O)c1ccccc1\N=N\C1C(C)=NN(C1=O)c1cc(Cl)c(cc1Cl)S([O-])(=O)=O
InChI key: QHIQXLZTEFYFMR-RXQWRGDBSA-M
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