Chem
J-GLOBAL ID:200907048179006661   Nikkaji number:J223.584F

2-Chloro-3-ethyl-6-[[3-[[(3-chloro-4-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid sodium salt

2-クロロ-3-エチル-6-[[3-[[(3-クロロ-4-エトキシフェニル)アミノ]カルボニル]-2-ヒドロキシ-1-ナフチル]アゾ]ベンゼンスルホン酸ナトリウム
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: C27H22Cl2N3NaO6S
Molecular formula furigana: C27-H22-CL2-N3-NA-O6-S
Molecular weight: 610.440
InChI: InChI=1S/C27H23Cl2N3O6S.Na/c1-3-15-9-11-21(26(23(15)29)39(35,36)37)31-32-24-18-8-6-5-7-16(18)13-19(25(24)33)27(34)30-17-10-12-22(38-4-2)20(28)14-17;/h5-14,33H,3-4H2,1-2H3,(H,30,34)(H,35,36,37);/q;+1/p-1
InChI key: BENOTZFVIWCVKA-UHFFFAOYSA-M
SMILES: CCOc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3ccc(CC)c(Cl)c3S(=O)(=O)O[Na])c2O)cc1Cl
Systematic name  (3):
  • 2-クロロ-3-エチル-6-[[3-[[(3-クロロ-4-エトキシフェニル)アミノ]カルボニル]-2-ヒドロキシ-1-ナフチル]アゾ]ベンゼンスルホン酸ナトリウム
  • ナトリウム 2-クロロ-6-(2-{3-[(3-クロロ-4-エトキシフェニル)カルバモイル]-2-ヒドロキシナフタレン-1-イル}ジアゼン-1-イル)-3-エチルベンゼン-1-スルホナート
  • sodium 2-chloro-6-(2-{3-[(3-chloro-4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-3-ethylbenzene-1-sulfonate
Other name (1):
  • 2-Chloro-3-ethyl-6-[[3-[[(3-chloro-4-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid sodium salt
Regulation number (1):
  • (4)-1061
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