Chem
J-GLOBAL ID：200907017216404998   Nikkaji number：J154.481K

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

ビス(2-ヒドロキシ-3′-ヘプチル[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： C38H46CaO10S2
Molecular formula furigana： C38-H46-CA-O10-S2
Molecular weight： 766.970
InChI： InChI=1S/2C19H24O5S.Ca/c2*1-2-3-4-5-6-9-15-10-7-11-16(14-15)24-17-12-8-13-18(19(17)20)25(21,22)23;/h2*7-8,10-14,20H,2-6,9H2,1H3,(H,21,22,23);/q;;+2/p-2
InChI key： DPBOCKBKFWSXSR-UHFFFAOYSA-L
SMILES： CCCCCCCc1cccc(Oc2cccc(c2O)S(=O)(=O)O[Ca]OS(=O)(=O)c2cccc(Oc3cccc(CCCCCCC)c3)c2O)c1
Systematic name  (3)：
  • ビス(2-ヒドロキシ-3′-ヘプチル[オキシビスベンゼン]-3-スルホン酸)カルシウム
  • {[3-(3-ヘプチルフェノキシ)-2-ヒドロキシベンゼンスルホニル]オキシ}カルシオ 3-(3-ヘプチルフェノキシ)-2-ヒドロキシベンゼン-1-スルホナート
  • {[3-(3-heptylphenoxy)-2-hydroxybenzenesulfonyl]oxy}calcio 3-(3-heptylphenoxy)-2-hydroxybenzene-1-sulfonate
Other name (1)：
  • Bis(2-hydroxy-3′-heptyl[oxybisbenzene]-3-sulfonic acid)calcium salt
Regulation number (1)：
  • (3)-2018
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