Chem
J-GLOBAL ID:200907049460929074   Nikkaji number:J242.183F

Bis[4-chloro-3-methyl-6-[[3-[[(4-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]barium salt

ビス[4-クロロ-3-メチル-6-[[3-[[(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]バリウム
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: C52H42BaCl2N6O12S2
Molecular formula furigana: C52-H42-BA-CL2-N6-O12-S2
Molecular weight: 1215.290
InChI: InChI=1S/2C26H22ClN3O6S.Ba/c2*1-3-36-18-10-8-17(9-11-18)28-26(32)20-13-16-6-4-5-7-19(16)24(25(20)31)30-29-22-14-21(27)15(2)12-23(22)37(33,34)35;/h2*4-14,31H,3H2,1-2H3,(H,28,32)(H,33,34,35);/q;;+2/p-2
InChI key: PXPLTRQJAJVRQX-UHFFFAOYSA-L
SMILES: CCOc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(Cl)c(C)cc3S(=O)(=O)O[Ba]OS(=O)(=O)c3cc(C)c(Cl)cc3N=Nc3c(O)c(cc4ccccc34)C(=O)Nc3ccc(OCC)cc3)c2O)cc1
Systematic name  (3):
  • ビス[4-クロロ-3-メチル-6-[[3-[[(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]バリウム
  • {[4-クロロ-2-(2-{3-[(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)-5-メチルベンゼンスルホニル]オキシ}バリオ 4-クロロ-2-(2-{3-[(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)-5-メチルベンゼン-1-スルホナート
  • {[4-chloro-2-(2-{3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-5-methylbenzenesulfonyl]oxy}bario 4-chloro-2-(2-{3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-5-methylbenzene-1-sulfonate
Other name (1):
  • Bis[4-chloro-3-methyl-6-[[3-[[(4-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]barium salt
Regulation number (1):
  • (4)-1056
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