Name: Cellufluor
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316851
Cas No:4193-55-9
常用名:Cellufluor
别名:Tinopal 5BMS, Phorwite AR, Paper White BP, Kayaphor FB
别名:Tinopal 5BMS, Phorwite AR, Paper White BP, Kayaphor FB
IUPAC:5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]ethenyl}benzene-1-sulfonic acid sodium
IUPAC:5-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]ethenyl}benzene-1-sulfonic acid sodium
InChI key:HNAYZHWQWOMYRN-UHFFFAOYSA-N

分子式:C40H44N12NaO10S2
分子量:939.98
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(CCO)CCO)cc3S(O)(=O)=O)c(c2)S(O)(=O)=O)n1 |w:26.26|jcExt:v:0:0
SMILES:[Na].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(CCO)CCO)cc3S(O)(=O)=O)c(c2)S(O)(=O)=O)n1 |w:26.26|jcExt:v:0:0

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