Reactive red 45
HIT218848827
sdf文件结构编辑类似物检索
HIT ID: HIT218848827
Cas No: 70210-46-7
分子式: C27H19ClN7Na3O10S3
分子量: 802.09
常用名: Reactive red 45
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
IUPAC: trisodium 5-({4-chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(1E)-2-(4-methyl-2-sulfonatophenyl)diazen-1-yl]naphthalene-2,7-disulfonate
SMILES: [Na+].[Na+].[Na+].CN(c1ccccc1)c1nc(Cl)nc(Nc2cc(cc3cc(c(\N=N\c4ccc(C)cc4S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)n1
SMILES: [Na+].[Na+].[Na+].CN(c1ccccc1)c1nc(Cl)nc(Nc2cc(cc3cc(c(\N=N\c4ccc(C)cc4S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)n1
InChI key: DYKLIOJHWZQJBH-RCWDREBLSA-K
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