Chem
J-GLOBAL ID:200907005307793751   Nikkaji number:J242.592K

Bis[3-chloro-5-ethyl-2-[[3-[[(3-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]calcium salt

ビス[3-クロロ-5-エチル-2-[[3-[[(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]カルシウム
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: C54H46CaCl2N6O12S2
Molecular formula furigana: C54-H46-CA-CL2-N6-O12-S2
Molecular weight: 1146.090
InChI: InChI=1S/2C27H24ClN3O6S.Ca/c2*1-3-16-12-22(28)25(23(13-16)38(34,35)36)31-30-24-20-11-6-5-8-17(20)14-21(26(24)32)27(33)29-18-9-7-10-19(15-18)37-4-2;/h2*5-15,32H,3-4H2,1-2H3,(H,29,33)(H,34,35,36);/q;;+2/p-2
InChI key: UQBRATJGKQTOLJ-UHFFFAOYSA-L
SMILES: CCOc1cccc(NC(=O)c2cc3ccccc3c(N=Nc3c(Cl)cc(CC)cc3S(=O)(=O)O[Ca]OS(=O)(=O)c3cc(CC)cc(Cl)c3N=Nc3c(O)c(cc4ccccc34)C(=O)Nc3cccc(OCC)c3)c2O)c1
Systematic name  (3):
  • ビス[3-クロロ-5-エチル-2-[[3-[[(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]カルシウム
  • {[3-クロロ-2-(2-{3-[(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)-5-エチルベンゼンスルホニル]オキシ}カルシオ 3-クロロ-2-(2-{3-[(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)-5-エチルベンゼン-1-スルホナート
  • {[3-chloro-2-(2-{3-[(3-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-5-ethylbenzenesulfonyl]oxy}calcio 3-chloro-2-(2-{3-[(3-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-5-ethylbenzene-1-sulfonate
Other name (1):
  • Bis[3-chloro-5-ethyl-2-[[3-[[(3-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]calcium salt
Regulation number (1):
  • (4)-1053
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