Chem
J-GLOBAL ID:200907001911513362   Nikkaji number:J158.566E

Bis(4-hydroxy-3′-undecyl[oxybisbenzene]-2-sulfonic acid)calcium salt

ビス(4-ヒドロキシ-3′-ウンデシル[オキシビスベンゼン]-2-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: C46H62CaO10S2
Molecular formula furigana: C46-H62-CA-O10-S2
Molecular weight: 879.190
InChI: InChI=1S/2C23H32O5S.Ca/c2*1-2-3-4-5-6-7-8-9-10-12-19-13-11-14-21(17-19)28-22-16-15-20(24)18-23(22)29(25,26)27;/h2*11,13-18,24H,2-10,12H2,1H3,(H,25,26,27);/q;;+2/p-2
InChI key: DEGFKPGEDPDBER-UHFFFAOYSA-L
SMILES: CCCCCCCCCCCc1cccc(Oc2ccc(O)cc2S(=O)(=O)O[Ca]OS(=O)(=O)c2cc(O)ccc2Oc2cccc(CCCCCCCCCCC)c2)c1
Systematic name  (3):
  • ビス(4-ヒドロキシ-3′-ウンデシル[オキシビスベンゼン]-2-スルホン酸)カルシウム
  • {[5-ヒドロキシ-2-(3-ウンデシルフェノキシ)ベンゼンスルホニル]オキシ}カルシオ 5-ヒドロキシ-2-(3-ウンデシルフェノキシ)ベンゼン-1-スルホナート
  • {[5-hydroxy-2-(3-undecylphenoxy)benzenesulfonyl]oxy}calcio 5-hydroxy-2-(3-undecylphenoxy)benzene-1-sulfonate
Other name (1):
  • Bis(4-hydroxy-3′-undecyl[oxybisbenzene]-2-sulfonic acid)calcium salt
Regulation number (1):
  • (3)-2018
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