Name: Diphenyl Blue
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315215
Cas No:72-57-1
常用名:Diphenyl Blue
别名:台盼蓝, Direct Blue 14
IUPAC:5-amino-3-(2-{4'-[2-(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-4-hydroxynaphthalene-2,7-disulfonic acid sodium
IUPAC:5-amino-3-(2-{4'-[2-(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl)-4-hydroxynaphthalene-2,7-disulfonic acid sodium
InChI key:FXPOHRBKUILUTB-UHFFFAOYSA-N

分子式:C34H28N6NaO14S4
分子量:895.86
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1 |w:9.9,34.35|jcExt:v:0:0
SMILES:[Na].Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1 |w:9.9,34.35|jcExt:v:0:0

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