Chem
J-GLOBAL ID:200907099136688835   Nikkaji number:J172.653F

Bis[2,3-di(11-tricosenyloxycarbonyl)benzenesulfonic acid]calcium salt

ビス[2,3-ジ(11-トリコセニルオキシカルボニル)ベンゼンスルホン酸]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: C108H186CaO14S2
Molecular formula furigana: C108-H186-CA-O14-S2
Molecular weight: 1812.860
InChI: InChI=1S/2C54H94O7S.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-48-60-53(55)50-46-45-47-51(62(57,58)59)52(50)54(56)61-49-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h2*23-26,45-47H,3-22,27-44,48-49H2,1-2H3,(H,57,58,59);/q;;+2/p-2
InChI key: ZWGYGLIQQASSRX-UHFFFAOYSA-L
SMILES: CCCCCCCCCCCC=CCCCCCCCCCCOC(=O)c1cccc(c1C(=O)OCCCCCCCCCCC=CCCCCCCCCCCC)S(=O)(=O)O[Ca]OS(=O)(=O)c1cccc(C(=O)OCCCCCCCCCCC=CCCCCCCCCCCC)c1C(=O)OCCCCCCCCCCC=CCCCCCCCCCCC
Systematic name  (3):
  • ビス[2,3-ジ(11-トリコセニルオキシカルボニル)ベンゼンスルホン酸]カルシウム
  • 1,2-ビス(トリコサ-11-エン-1-イル) 3-({[({2,3-ビス[(トリコサ-11-エン-1-イルオキシ)カルボニル]ベンゼンスルホニル}オキシ)カルシオ]オキシ}スルホニル)ベンゼン-1,2-ジカルボキシラート
  • 1,2-bis(tricos-11-en-1-yl) 3-({[({2,3-bis[(tricos-11-en-1-yloxy)carbonyl]benzenesulfonyl}oxy)calcio]oxy}sulfonyl)benzene-1,2-dicarboxylate
Other name (1):
  • Bis[2,3-di(11-tricosenyloxycarbonyl)benzenesulfonic acid]calcium salt
Regulation number (1):
  • (3)-2136
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