Chem
J-GLOBAL ID:200907050901341297   Nikkaji number:J242.446K

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

ビス[3-クロロ-6-エチル-4-[[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: C52H42CaCl2N6O12S2
Molecular formula furigana: C52-H42-CA-CL2-N6-O12-S2
Molecular weight: 1118.040
InChI: InChI=1S/2C26H22ClN3O6S.Ca/c2*1-3-15-13-22(21(27)14-23(15)37(33,34)35)29-30-24-19-7-5-4-6-16(19)12-20(25(24)31)26(32)28-17-8-10-18(36-2)11-9-17;/h2*4-14,31H,3H2,1-2H3,(H,28,32)(H,33,34,35);/q;;+2/p-2
InChI key: PGPQJQXCBJZKJI-UHFFFAOYSA-L
SMILES: CCc1cc(N=Nc2c(O)c(cc3ccccc23)C(=O)Nc2ccc(OC)cc2)c(Cl)cc1S(=O)(=O)O[Ca]OS(=O)(=O)c1cc(Cl)c(cc1CC)N=Nc1c(O)c(cc2ccccc12)C(=O)Nc1ccc(OC)cc1
Systematic name  (3):
  • ビス[3-クロロ-6-エチル-4-[[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
  • {[5-クロロ-2-エチル-4-(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)ベンゼンスルホニル]オキシ}カルシオ 5-クロロ-2-エチル-4-(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)ベンゼン-1-スルホナート
  • {[5-chloro-2-ethyl-4-(2-{2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl}diazen-1-yl)benzenesulfonyl]oxy}calcio 5-chloro-2-ethyl-4-(2-{2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl}diazen-1-yl)benzene-1-sulfonate
Other name (1):
  • Bis[3-chloro-6-ethyl-4-[[3-[[(4-methoxyphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzenesulfonic acid]calcium salt
Regulation number (1):
  • (4)-1053
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