Chem
J-GLOBAL ID:200907050969755600   Nikkaji number:J168.098F

Bis[3-[(2-henicosyloxycarbonylphenyl)carbonyloxy]propane-1-sulfonic acid]calcium salt

ビス[3-[(2-ヘニコ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: C64H106CaO14S2
Molecular formula furigana: C64-H106-CA-O14-S2
Molecular weight: 1203.740
InChI: InChI=1S/2C32H54O7S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-38-31(33)29-24-20-21-25-30(29)32(34)39-27-23-28-40(35,36)37;/h2*20-21,24-25H,2-19,22-23,26-28H2,1H3,(H,35,36,37);/q;;+2/p-2
InChI key: KFMWVYBSHDUJGL-UHFFFAOYSA-L
SMILES: CCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCS(=O)(=O)O[Ca]OS(=O)(=O)CCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCCCCC
Systematic name  (3):
  • ビス[3-[(2-ヘニコ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-ヘンイコシル 2-{3-[({[(3-{2-[(ヘンイコシルオキシ)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-henicosyl 2-{3-[({[(3-{2-[(henicosyloxy)carbonyl]benzoyloxy}propanesulfonyl)oxy]calcio}oxy)sulfonyl]propyl} benzene-1,2-dicarboxylate
Other name (1):
  • Bis[3-[(2-henicosyloxycarbonylphenyl)carbonyloxy]propane-1-sulfonic acid]calcium salt
Regulation number (1):
  • (3)-1346
Thsaurus map:

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