Chem
J-GLOBAL ID:200907000010663032   Nikkaji number:J242.621H

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

ビス[3-クロロ-4-エチル-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]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*1-3-16-14-23(24(15-22(16)28)38(34,35)36)30-31-25-20-8-6-5-7-17(20)13-21(26(25)32)27(33)29-18-9-11-19(12-10-18)37-4-2;/h2*5-15,32H,3-4H2,1-2H3,(H,29,33)(H,34,35,36);/q;;+2/p-2
InChI key: XYWBNRSYUHPNOW-UHFFFAOYSA-L
SMILES: CCOc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(CC)c(Cl)cc3S(=O)(=O)O[Ca]OS(=O)(=O)c3cc(Cl)c(CC)cc3N=Nc3c(O)c(cc4ccccc34)C(=O)Nc3ccc(OCC)cc3)c2O)cc1
Systematic name  (3):
  • ビス[3-クロロ-4-エチル-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]カルシウム
  • {[5-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)-4-エチルベンゼンスルホニル]オキシ}カルシオ 5-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)-4-エチルベンゼン-1-スルホナート
  • {[5-chloro-2-(2-{3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-4-ethylbenzenesulfonyl]oxy}calcio 5-chloro-2-(2-{3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-4-ethylbenzene-1-sulfonate
Other name (1):
  • Bis[3-chloro-4-ethyl-6-[[3-[[(4-ethoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]calcium salt
Regulation number (1):
  • (4)-1053
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