Chem
J-GLOBAL ID：201707003700705848   Nikkaji number：J3.659.004A

4-Amino-6-[[5-[[4-(2-ethylanilino)-6-[[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazine-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-3-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenylazo]naphthalene-2,7-disulfonic acid

4-アミノ-6-[[5-[[4-(2-エチルアニリノ)-6-[[2-[[2-(スルホオキシ)エチル]スルホニル]エチル]アミノ]-1,3,5-トリアジン-2-イル]アミノ]-2-スルホフェニル]アゾ]-5-ヒドロキシ-3-[4-[[2-(スルホオキシ)エチル]スルホニル]フェニルアゾ]ナフタレン-2,7-ジスルホン酸
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： C39H41N11O22S7
Molecular formula furigana： C39-H41-N11-O22-S7
Molecular weight： 1240.230
InChI： InChI=1S/C39H41N11O22S7/c1-2-22-5-3-4-6-27(22)43-39-45-37(41-13-16-73(52,53)17-14-71-78(65,66)67)44-38(46-39)42-25-9-12-29(75(56,57)58)28(21-25)48-50-35-31(77(62,63)64)20-23-19-30(76(59,60)61)34(33(40)32(23)36(35)51)49-47-24-7-10-26(11-8-24)74(54,55)18-15-72-79(68,69)70/h3-12,19-21,51H,2,13-18,40H2,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H3,41,42,43,44,45,46)
InChI key： XWIRSKLCKLFAAO-UHFFFAOYSA-N
SMILES： CCc1ccccc1Nc1nc(NCCS(=O)(=O)CCOS(=O)(=O)O)nc(Nc2ccc(c(c2)N=Nc2c(O)c3c(N)c(N=Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)O)c(cc3cc2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n1
Systematic name  (3)：
  • 4-アミノ-6-[[5-[[4-(2-エチルアニリノ)-6-[[2-[[2-(スルホオキシ)エチル]スルホニル]エチル]アミノ]-1,3,5-トリアジン-2-イル]アミノ]-2-スルホフェニル]アゾ]-5-ヒドロキシ-3-[4-[[2-(スルホオキシ)エチル]スルホニル]フェニルアゾ]ナフタレン-2,7-ジスルホン酸
  • 4-アミノ-6-{2-[5-({4-[(2-エチルフェニル)アミノ]-6-({2-[2-(スルホオキシ)エタンスルホニル]エチル}アミノ)-1,3,5-トリアジン-2-イル}アミノ)-2-スルホフェニル]ジアゼン-1-イル}-5-ヒドロキシ-3-(2-{4-[2-(スルホオキシ)エタンスルホニル]フェニル}ジアゼン-1-イル)ナフタレン-2,7-ジスルホン酸
  • 4-amino-6-{2-[5-({4-[(2-ethylphenyl)amino]-6-({2-[2-(sulfooxy)ethanesulfonyl]ethyl}amino)-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazen-1-yl}-5-hydroxy-3-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)naphthalene-2,7-disulfonic acid
Other name (1)：
  • 4-Amino-6-[[5-[[4-(2-ethylanilino)-6-[[2-[[2-(sulfooxy)ethyl]sulfonyl]ethyl]amino]-1,3,5-triazine-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-3-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenylazo]naphthalene-2,7-disulfonic acid
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