Chem
J-GLOBAL ID:200907049330894970   Nikkaji number:J168.057I

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

ビス[1-[(2-オクチ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: C38H54CaO14S2
Molecular formula furigana: C38-H54-CA-O14-S2
Molecular weight: 839.030
InChI: InChI=1S/2C19H28O7S.Ca/c2*1-3-5-6-7-8-11-14-25-18(20)15-12-9-10-13-16(15)19(21)26-17(4-2)27(22,23)24;/h2*9-10,12-13,17H,3-8,11,14H2,1-2H3,(H,22,23,24);/q;;+2/p-2
InChI key: SCAIVKYGMOKSNP-UHFFFAOYSA-L
SMILES: CCCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)S(=O)(=O)O[Ca]OS(=O)(=O)C(CC)OC(=O)c1ccccc1C(=O)OCCCCCCCC
Systematic name  (3):
  • ビス[1-[(2-オクチ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-オクチル 2-{1-[({[(1-{2-[(オクチルオキシ)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-octyl 2-{1-[({[(1-{2-[(octyloxy)carbonyl]benzoyloxy}propanesulfonyl)oxy]calcio}oxy)sulfonyl]propyl} benzene-1,2-dicarboxylate
Other name (1):
  • Bis[1-[(2-octyloxycarbonylphenyl)carbonyloxy]propane-1-sulfonic acid]calcium salt
Regulation number (1):
  • (3)-1346
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