Chem
J-GLOBAL ID：200907069403305049   Nikkaji number：J2.485.347K

6,6′-[Thiobis[[2-(trifluoromethylsulfonyloxy)-5-tert-butyl-1,3-phenylene]thio]][2,2′-thiobis(4-tert-butylphenol)]

6,6′-[チオビス[[2-(トリフルオロメチルスルホニルオキシ)-5-tert-ブチル-1,3-フェニレン]チオ]][2,2′-チオビス(4-tert-ブチルフェノール)]
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： C42H46F6O8S6
Molecular formula furigana： C42-H46-F6-O8-S6
Molecular weight： 985.170
InChI： InChI=1S/C42H46F6O8S6/c1-37(2,3)21-13-25-33(49)27(15-21)58-29-17-23(39(7,8)9)19-31(35(29)55-61(51,52)41(43,44)45)60-32-20-24(40(10,11)12)18-30(36(32)56-62(53,54)42(46,47)48)59-28-16-22(38(4,5)6)14-26(57-25)34(28)50/h13-20,49-50H,1-12H3
InChI key： NYQDWECKKPJXBC-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc(c1)c2O)c5OS(=O)(=O)C(F)(F)F)C(C)(C)C)c4OS(=O)(=O)C(F)(F)F)C(C)(C)C)c3O)C(C)(C)C
Systematic name  (6)：
  • ビス(トリフルオロメタンスルホン酸)27,28-ジヒドロキシ-5,11,17,23-テトラ-tert-ブチル-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26-ジイル
  • 6,6′-[チオビス[[2-(トリフルオロメチルスルホニルオキシ)-5-tert-ブチル-1,3-フェニレン]チオ]][2,2′-チオビス(4-tert-ブチルフェノール)]
  • 5,11,17,23-テトラ-tert-ブチル-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトラオール25,26-ビス(トリフルオロメタンスルホナート)
  • 5,11,17,23-テトラ-tert-ブチル-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトラオール25,28-ビス(トリフルオロメタンスルホナート)
  • 5,11,17,23-テトラ-tert-ブチル-27,28-ジヒドロキシ-26-(トリフルオロメタンスルホニルオキシ)-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9(27),10,12,15,17,19(26),21,23-ドデカエン-25-イル トリフルオロメタンスルホナート
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Other name (4)：
  • Bis(trifluoromethanesulfonic acid)27,28-dihydroxy-5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26-diyl ester
  • 6,6′-[Thiobis[[2-(trifluoromethylsulfonyloxy)-5-tert-butyl-1,3-phenylene]thio]][2,2′-thiobis(4-tert-butylphenol)]
  • 5,11,17,23-Tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol 25,26-bis(trifluoromethanesulfonate)
  • 5,11,17,23-Tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol 25,28-bis(trifluoromethanesulfonate)
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