Chem
J-GLOBAL ID：200907002257934023   Nikkaji number：J219.213F

3-Chloro-4-methyl-5-[[3-[[(2-chloro-3-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid sodium salt

3-クロロ-4-メチル-5-[[3-[[(2-クロロ-3-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： C26H20Cl2N3NaO6S
Molecular formula furigana： C26-H20-CL2-N3-NA-O6-S
Molecular weight： 596.410
InChI： InChI=1S/C26H21Cl2N3O6S.Na/c1-3-37-22-10-6-9-20(23(22)28)29-26(33)18-11-15-7-4-5-8-17(15)24(25(18)32)31-30-21-13-16(38(34,35)36)12-19(27)14(21)2;/h4-13,32H,3H2,1-2H3,(H,29,33)(H,34,35,36);/q;+1/p-1
InChI key： NQQPCDCWTATDDU-UHFFFAOYSA-M
SMILES： CCOc1cccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(cc(Cl)c3C)S(=O)(=O)O[Na])c2O)c1Cl
Systematic name  (3)：
  • 3-クロロ-4-メチル-5-[[3-[[(2-クロロ-3-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 3-クロロ-5-(2-{3-[(2-クロロ-3-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)-4-メチルベンゼン-1-スルホナート
  • sodium 3-chloro-5-(2-{3-[(2-chloro-3-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-4-methylbenzene-1-sulfonate
Other name (1)：
  • 3-Chloro-4-methyl-5-[[3-[[(2-chloro-3-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid sodium salt
Regulation number (1)：
  • (4)-1061
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