Chem
J-GLOBAL ID:200907034303452860   Nikkaji number:J157.503A

Bis(3′-hydroxy-6′-nonyl[oxybisbenzene]-3-sulfonic acid)calcium salt

ビス(3′-ヒドロキシ-6′-ノニル[オキシビスベンゼン]-3-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: C42H54CaO10S2
Molecular formula furigana: C42-H54-CA-O10-S2
Molecular weight: 823.080
InChI: InChI=1S/2C21H28O5S.Ca/c2*1-2-3-4-5-6-7-8-10-17-13-14-18(22)15-21(17)26-19-11-9-12-20(16-19)27(23,24)25;/h2*9,11-16,22H,2-8,10H2,1H3,(H,23,24,25);/q;;+2/p-2
InChI key: AONIPYYGIGDBQX-UHFFFAOYSA-L
SMILES: CCCCCCCCCc1ccc(O)cc1Oc1cccc(c1)S(=O)(=O)O[Ca]OS(=O)(=O)c1cccc(Oc2cc(O)ccc2CCCCCCCCC)c1
Systematic name  (3):
  • ビス(3′-ヒドロキシ-6′-ノニル[オキシビスベンゼン]-3-スルホン酸)カルシウム
  • {[3-(5-ヒドロキシ-2-ノニルフェノキシ)ベンゼンスルホニル]オキシ}カルシオ 3-(5-ヒドロキシ-2-ノニルフェノキシ)ベンゼン-1-スルホナート
  • {[3-(5-hydroxy-2-nonylphenoxy)benzenesulfonyl]oxy}calcio 3-(5-hydroxy-2-nonylphenoxy)benzene-1-sulfonate
Other name (1):
  • Bis(3′-hydroxy-6′-nonyl[oxybisbenzene]-3-sulfonic acid)calcium salt
Regulation number (1):
  • (3)-2018
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