Chem
J-GLOBAL ID：200907001932618342   Nikkaji number：J1.886.852K

25,26,27,28-Tetrakis(benzyloxy)-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-dodecene 2,8-dioxide

25,26,27,28-テトラキス(ベンジルオキシ)-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2,8-ジオキシド
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： C68H72O4[O-]2S2[S+]2
Molecular formula furigana： C68-H72-O6-S4
Molecular weight： 1113.560
InChI： InChI=1S/C68H72O6S4/c1-65(2,3)49-33-53-61(71-41-45-25-17-13-18-26-45)54(34-49)76-56-36-51(67(7,8)9)38-58(63(56)73-43-47-29-21-15-22-30-47)78(70)60-40-52(68(10,11)12)39-59(64(60)74-44-48-31-23-16-24-32-48)77(69)57-37-50(66(4,5)6)35-55(75-53)62(57)72-42-46-27-19-14-20-28-46/h13-40H,41-44H2,1-12H3
InChI key： TVDQTQOBJWXJPZ-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(cc([S+]([O-])c4cc(cc([S+]([O-])c5cc(cc(Sc(c1)c2OCc1ccccc1)c5OCc1ccccc1)C(C)(C)C)c4OCc1ccccc1)C(C)(C)C)c3OCc1ccccc1)C(C)(C)C
Systematic name  (3)：
  • 25,26,27,28-テトラキス(ベンジルオキシ)-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2,8-ジオキシド
  • 25,26,27,28-テトラキス(ベンジルオキシ)-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(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-ドデカエン-2,8-ジイウム-2,8-ビス(オラート)
  • 25,26,27,28-tetrakis(benzyloxy)-5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-2,8-diium-2,8-bis(olate)
Other name (1)：
  • 25,26,27,28-Tetrakis(benzyloxy)-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-dodecene 2,8-dioxide
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