Chem
J-GLOBAL ID:200907025291483197   Nikkaji number:J158.231C

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

ビス(3-ヒドロキシ-4′-デシル[オキシビスベンゼン]-4-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: C44H58CaO10S2
Molecular formula furigana: C44-H58-CA-O10-S2
Molecular weight: 851.140
InChI: InChI=1S/2C22H30O5S.Ca/c2*1-2-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)27-20-15-16-22(21(23)17-20)28(24,25)26;/h2*11-17,23H,2-10H2,1H3,(H,24,25,26);/q;;+2/p-2
InChI key: SMSRHPXOLVWZOF-UHFFFAOYSA-L
SMILES: CCCCCCCCCCc1ccc(Oc2ccc(c(O)c2)S(=O)(=O)O[Ca]OS(=O)(=O)c2ccc(Oc3ccc(CCCCCCCCCC)cc3)cc2O)cc1
Systematic name  (3):
  • ビス(3-ヒドロキシ-4′-デシル[オキシビスベンゼン]-4-スルホン酸)カルシウム
  • {[4-(4-デシルフェノキシ)-2-ヒドロキシベンゼンスルホニル]オキシ}カルシオ 4-(4-デシルフェノキシ)-2-ヒドロキシベンゼン-1-スルホナート
  • {[4-(4-decylphenoxy)-2-hydroxybenzenesulfonyl]oxy}calcio 4-(4-decylphenoxy)-2-hydroxybenzene-1-sulfonate
Other name (1):
  • Bis(3-hydroxy-4′-decyl[oxybisbenzene]-4-sulfonic acid)calcium salt
Regulation number (1):
  • (3)-2018
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