Chem
J-GLOBAL ID:200907027721884754   Nikkaji number:J33.200C

4,4′-Bis[4-chloro-6-(o-toluidino)-1,3,5-triazin-2-ylamino]-2,2′-stilbenedisulfonic acid 2-sodium salt

4,4′-ビス[4-クロロ-6-(o-トルイジノ)-1,3,5-トリアジン-2-イルアミノ]-2,2′-スチルベンジスルホン酸2-ナトリウム
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C34H27Cl2N10NaO6S2
Molecular formula furigana: C34-H27-CL2-N10-NA-O6-S2
Molecular weight: 829.660
InChI: InChI=1S/C34H28Cl2N10O6S2.Na/c1-19-7-3-5-9-25(19)39-33-43-29(35)41-31(45-33)37-23-15-13-21(27(17-23)53(47,48)49)11-12-22-14-16-24(18-28(22)54(50,51)52)38-32-42-30(36)44-34(46-32)40-26-10-6-4-8-20(26)2;/h3-18H,1-2H3,(H,47,48,49)(H,50,51,52)(H2,37,39,41,43,45)(H2,38,40,42,44,46);/q;+1/p-1
InChI key: BFPUFGSGJCINJJ-UHFFFAOYSA-M
SMILES: Cc1ccccc1Nc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Cl)nc(Nc5ccccc5C)n4)cc3S(=O)(=O)O[Na])c(c2)S(=O)(=O)O)n1
Systematic name  (3):
  • 4,4′-ビス[4-クロロ-6-(o-トルイジノ)-1,3,5-トリアジン-2-イルアミノ]-2,2′-スチルベンジスルホン酸2-ナトリウム
  • 5-({4-クロロ-6-[(2-メチルフェニル)アミノ]-1,3,5-トリアジン-2-イル}アミノ)-2-{2-[4-({4-クロロ-6-[(2-メチルフェニル)アミノ]-1,3,5-トリアジン-2-イル}アミノ)-2-[(ソジオオキシ)スルホニル]フェニル]エテニル}ベンゼン-1-スルホン酸
  • 5-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{2-[4-({4-chloro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}amino)-2-[(sodiooxy)sulfonyl]phenyl]ethenyl}benzene-1-sulfonic acid
Other name (1):
  • 4,4′-Bis[4-chloro-6-(o-toluidino)-1,3,5-triazin-2-ylamino]-2,2′-stilbenedisulfonic acid 2-sodium salt
Regulation number (1):
  • 8-(3)-262
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