Chem
J-GLOBAL ID:200907048270751582   Nikkaji number:J153.623K

Bis(4-hydroxy-6-hexyl[oxybisbenzene]-3-sulfonic acid)calcium salt

ビス(4-ヒドロキシ-6-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*1-2-3-4-6-9-14-12-16(19)18(24(20,21)22)13-17(14)23-15-10-7-5-8-11-15;/h2*5,7-8,10-13,19H,2-4,6,9H2,1H3,(H,20,21,22);/q;;+2/p-2
InChI key: XNTUVRAIONRQPU-UHFFFAOYSA-L
SMILES: CCCCCCc1cc(O)c(cc1Oc1ccccc1)S(=O)(=O)O[Ca]OS(=O)(=O)c1cc(Oc2ccccc2)c(CCCCCC)cc1O
Systematic name  (3):
  • ビス(4-ヒドロキシ-6-ヘキシル[オキシビスベンゼン]-3-スルホン酸)カルシウム
  • [(4-ヘキシル-2-ヒドロキシ-5-フェノキシベンゼンスルホニル)オキシ]カルシオ 4-ヘキシル-2-ヒドロキシ-5-フェノキシベンゼン-1-スルホナート
  • [(4-hexyl-2-hydroxy-5-phenoxybenzenesulfonyl)oxy]calcio 4-hexyl-2-hydroxy-5-phenoxybenzene-1-sulfonate
Other name (1):
  • Bis(4-hydroxy-6-hexyl[oxybisbenzene]-3-sulfonic acid)calcium salt
Regulation number (1):
  • (3)-2018
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