Chem
J-GLOBAL ID:200907017318000085   Nikkaji number:J242.352I

Bis[3-chloro-5-methyl-2-[[3-[[(4-methoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]calcium salt

ビス[3-クロロ-5-メチル-2-[[3-[[(4-メトキシフェニル)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: C50H38CaCl2N6O12S2
Molecular formula furigana: C50-H38-CA-CL2-N6-O12-S2
Molecular weight: 1089.980
InChI: InChI=1S/2C25H20ClN3O6S.Ca/c2*1-14-11-20(26)23(21(12-14)36(32,33)34)29-28-22-18-6-4-3-5-15(18)13-19(24(22)30)25(31)27-16-7-9-17(35-2)10-8-16;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2
InChI key: JMCHWTQHCFJSKY-UHFFFAOYSA-L
SMILES: COc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3c(Cl)cc(C)cc3S(=O)(=O)O[Ca]OS(=O)(=O)c3cc(C)cc(Cl)c3N=Nc3c(O)c(cc4ccccc34)C(=O)Nc3ccc(OC)cc3)c2O)cc1
Systematic name  (3):
  • ビス[3-クロロ-5-メチル-2-[[3-[[(4-メトキシフェニル)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-{2-ヒドロキシ-3-[(4-メトキシフェニル)カルバモイル]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}カルシオ 3-クロロ-2-(2-{2-ヒドロキシ-3-[(4-メトキシフェニル)カルバモイル]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
  • {[3-chloro-2-(2-{2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl}diazen-1-yl)-5-methylbenzenesulfonyl]oxy}calcio 3-chloro-2-(2-{2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl}diazen-1-yl)-5-methylbenzene-1-sulfonate
Other name (1):
  • Bis[3-chloro-5-methyl-2-[[3-[[(4-methoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]calcium salt
Regulation number (1):
  • (4)-1053
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