Reactive Brown 23
HIT218848830
sdf文件结构编辑类似物检索
HIT ID: HIT218848830
Cas No: 68892-31-9
分子式: C27H17Cl2N8Na3O9S3
分子量: 833.53
常用名: Reactive Brown 23
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium 2-[(1E)-2-{4-[(1E)-2-{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazen-1-yl]-2,5-dimethylphenyl}diazen-1-yl]benzene-1,4-disulfonate
IUPAC: trisodium 2-[(1E)-2-{4-[(1E)-2-{4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl}diazen-1-yl]-2,5-dimethylphenyl}diazen-1-yl]benzene-1,4-disulfonate
SMILES: [Na+].[Na+].[Na+].Cc1cc(\N=N\c2ccc(Nc3nc(Cl)nc(Cl)n3)c3c(cccc23)S([O-])(=O)=O)c(C)cc1\N=N\c1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O
SMILES: [Na+].[Na+].[Na+].Cc1cc(\N=N\c2ccc(Nc3nc(Cl)nc(Cl)n3)c3c(cccc23)S([O-])(=O)=O)c(C)cc1\N=N\c1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O
InChI key: UPDVDGUOBRUKAJ-DKZBWMTHSA-K
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