Chem
J-GLOBAL ID:200907025646776425   Nikkaji number:J168.066H

Bis[1-[(2-undecyloxycarbonylphenyl)carbonyloxy]propane-1-sulfonic acid]calcium salt

ビス[1-[(2-ウンデシルオキシカルボニルフェニル)カルボニルオキシ]プロパン-1-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: C44H66CaO14S2
Molecular formula furigana: C44-H66-CA-O14-S2
Molecular weight: 923.200
InChI: InChI=1S/2C22H34O7S.Ca/c2*1-3-5-6-7-8-9-10-11-14-17-28-21(23)18-15-12-13-16-19(18)22(24)29-20(4-2)30(25,26)27;/h2*12-13,15-16,20H,3-11,14,17H2,1-2H3,(H,25,26,27);/q;;+2/p-2
InChI key: CNFJFGSWCSNTAC-UHFFFAOYSA-L
SMILES: CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)S(=O)(=O)O[Ca]OS(=O)(=O)C(CC)OC(=O)c1ccccc1C(=O)OCCCCCCCCCCC
Systematic name  (3):
  • ビス[1-[(2-ウンデシルオキシカルボニルフェニル)カルボニルオキシ]プロパン-1-スルホン酸]カルシウム
  • 1-ウンデシル 2-{1-[({[(1-{2-[(ウンデシルオキシ)カルボニル]ベンゾイルオキシ}プロパンスルホニル)オキシ]カルシオ}オキシ)スルホニル]プロピル} ベンゼン-1,2-ジカルボキシラート
  • 1-undecyl 2-{1-[({[(1-{2-[(undecyloxy)carbonyl]benzoyloxy}propanesulfonyl)oxy]calcio}oxy)sulfonyl]propyl} benzene-1,2-dicarboxylate
Other name (1):
  • Bis[1-[(2-undecyloxycarbonylphenyl)carbonyloxy]propane-1-sulfonic acid]calcium salt
Regulation number (1):
  • (3)-1346
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