Chem
J-GLOBAL ID:200907008707848287   Nikkaji number:J153.711C

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

ビス(2′-ヒドロキシ-4-ヘキシル[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: C36H42CaO10S2
Molecular formula furigana: C36-H42-CA-O10-S2
Molecular weight: 738.920
InChI: InChI=1S/2C18H22O5S.Ca/c2*1-2-3-4-5-8-14-11-12-15(13-18(14)24(20,21)22)23-17-10-7-6-9-16(17)19;/h2*6-7,9-13,19H,2-5,8H2,1H3,(H,20,21,22);/q;;+2/p-2
InChI key: ULAZVFXVJJNEJJ-UHFFFAOYSA-L
SMILES: CCCCCCc1ccc(Oc2ccccc2O)cc1S(=O)(=O)O[Ca]OS(=O)(=O)c1cc(Oc2ccccc2O)ccc1CCCCCC
Systematic name  (3):
  • ビス(2′-ヒドロキシ-4-ヘキシル[オキシビスベンゼン]-3-スルホン酸)カルシウム
  • {[2-ヘキシル-5-(2-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 2-ヘキシル-5-(2-ヒドロキシフェノキシ)ベンゼン-1-スルホナート
  • {[2-hexyl-5-(2-hydroxyphenoxy)benzenesulfonyl]oxy}calcio 2-hexyl-5-(2-hydroxyphenoxy)benzene-1-sulfonate
Other name (1):
  • Bis(2′-hydroxy-4-hexyl[oxybisbenzene]-3-sulfonic acid)calcium salt
Regulation number (1):
  • (3)-2018
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