Chem
J-GLOBAL ID:200907006805701879   Nikkaji number:J286.488F

2,2′-(1,2-Ethenediyl)bis[5-[[4,6-bis[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid]hexasodium salt

2,2′-(1,2-エテンジイル)ビス[5-[[4,6-ビス[(3-スルホフェニル)アミノ]-1,3,5-トリアジン-2-イル]アミノ]ベンゼンスルホン酸]ヘキサナトリウム
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: C44H30N12Na6O18S6
Molecular formula furigana: C44-H30-N12-NA6-O18-S6
Molecular weight: 1345.090
InChI: InChI=1S/C44H36N12O18S6.6Na/c57-75(58,59)33-9-1-5-27(19-33)45-39-51-40(46-28-6-2-10-34(20-28)76(60,61)62)54-43(53-39)49-31-17-15-25(37(23-31)79(69,70)71)13-14-26-16-18-32(24-38(26)80(72,73)74)50-44-55-41(47-29-7-3-11-35(21-29)77(63,64)65)52-42(56-44)48-30-8-4-12-36(22-30)78(66,67)68;;;;;;/h1-24H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;;;;;/q;6*+1/p-6
InChI key: MLTSEYBWAHDHGZ-UHFFFAOYSA-H
SMILES: [Na]OS(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)O[Na])nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cccc(c6)S(=O)(=O)O[Na])nc(Nc6cccc(c6)S(=O)(=O)O[Na])n5)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n2)c1
Systematic name  (3):
  • 2,2′-(1,2-エテンジイル)ビス[5-[[4,6-ビス[(3-スルホフェニル)アミノ]-1,3,5-トリアジン-2-イル]アミノ]ベンゼンスルホン酸]ヘキサナトリウム
  • ナトリウム 5-{[4,6-ビス({3-[(ソジオオキシ)スルホニル]フェニル}アミノ)-1,3,5-トリアジン-2-イル]アミノ}-2-[2-(4-{[4,6-ビス({3-[(ソジオオキシ)スルホニル]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-スルホナート
  • sodium 5-{[4,6-bis({3-[(sodiooxy)sulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-2-[2-(4-{[4,6-bis({3-[(sodiooxy)sulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}-2-[(sodiooxy)sulfonyl]phenyl)ethenyl]benzene-1-sulfonate
Other name (1):
  • 2,2′-(1,2-Ethenediyl)bis[5-[[4,6-bis[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid]hexasodium salt
CAS registry number: 28950-63-2
Regulation number (1):
  • EINECS2493246
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