Name: C.I. Direct Blue 2
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316808
Cas No:2429-73-4
常用名:C.I. Direct Blue 2
别名:Pontamine Diazo Black BHSW, NSC-75779, NSC75779, NSC 75779, Direct Blue 2, CCRIS 6236
别名:Pontamine Diazo Black BHSW, NSC-75779, NSC75779, NSC 75779, Direct Blue 2, CCRIS 6236
IUPAC:5-amino-3-(2-{4'-[2-(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl)-4-hydroxynaphthalene-2,7-disulfonic acid trisodium
IUPAC:5-amino-3-(2-{4'-[2-(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl)-4-hydroxynaphthalene-2,7-disulfonic acid trisodium
InChI key:ISKHIWSUDPZKOU-UHFFFAOYSA-N

分子式:C32H24N6Na3O11S3
分子量:833.72
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].[Na].[Na].Nc1ccc2cc(c(N=Nc3ccc(cc3)-c3ccc(cc3)N=Nc3c(O)c4c(N)cc(cc4cc3S(O)(=O)=O)S(O)(=O)=O)c(O)c2c1)S(O)(=O)=O |w:26.25,12.9|jcExt:v:0:0,1:0,2:0
SMILES:[Na].[Na].[Na].Nc1ccc2cc(c(N=Nc3ccc(cc3)-c3ccc(cc3)N=Nc3c(O)c4c(N)cc(cc4cc3S(O)(=O)=O)S(O)(=O)=O)c(O)c2c1)S(O)(=O)=O |w:26.25,12.9|jcExt:v:0:0,1:0,2:0

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