Chem
J-GLOBAL ID：200907009157352846   Nikkaji number：J158.963F

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

ビス(3′-ヒドロキシ-2′-ドデシル[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： C48H66CaO10S2
Molecular formula furigana： C48-H66-CA-O10-S2
Molecular weight： 907.240
InChI： InChI=1S/2C24H34O5S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-16-22-23(25)17-13-18-24(22)29-20-14-12-15-21(19-20)30(26,27)28;/h2*12-15,17-19,25H,2-11,16H2,1H3,(H,26,27,28);/q;;+2/p-2
InChI key： MUSGOEVULBRSNS-UHFFFAOYSA-L
SMILES： CCCCCCCCCCCCc1c(O)cccc1Oc1cccc(c1)S(=O)(=O)O[Ca]OS(=O)(=O)c1cccc(Oc2cccc(O)c2CCCCCCCCCCCC)c1
Systematic name  (3)：
  • ビス(3′-ヒドロキシ-2′-ドデシル[オキシビスベンゼン]-3-スルホン酸)カルシウム
  • {[3-(2-ドデシル-3-ヒドロキシフェノキシ)ベンゼンスルホニル]オキシ}カルシオ 3-(2-ドデシル-3-ヒドロキシフェノキシ)ベンゼン-1-スルホナート
  • {[3-(2-dodecyl-3-hydroxyphenoxy)benzenesulfonyl]oxy}calcio 3-(2-dodecyl-3-hydroxyphenoxy)benzene-1-sulfonate
Other name (1)：
  • Bis(3′-hydroxy-2′-dodecyl[oxybisbenzene]-3-sulfonic acid)calcium salt
Regulation number (1)：
  • (3)-2018
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