Chem
J-GLOBAL ID：200907006519532571   Nikkaji number：J2.691.260A

Tetrakis[2-(benzoylthio)acetic acid]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-tetrayl ester

テトラキス[2-(ベンゾイルチオ)酢酸]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-テトライル
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： C76H72O12S8
Molecular formula furigana： C76-H72-O12-S8
Molecular weight： 1433.880
InChI： InChI=1S/C76H72O12S8/c1-73(2,3)49-33-53-65(85-61(77)41-89-69(81)45-25-17-13-18-26-45)54(34-49)94-56-36-51(75(7,8)9)38-58(67(56)87-63(79)43-91-71(83)47-29-21-15-22-30-47)96-60-40-52(76(10,11)12)39-59(68(60)88-64(80)44-92-72(84)48-31-23-16-24-32-48)95-57-37-50(74(4,5)6)35-55(93-53)66(57)86-62(78)42-90-70(82)46-27-19-14-20-28-46/h13-40H,41-44H2,1-12H3
InChI key： LRTJEUBVVIOUPK-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc(c1)c2OC(=O)CSC(=O)c1ccccc1)c5OC(=O)CSC(=O)c1ccccc1)C(C)(C)C)c4OC(=O)CSC(=O)c1ccccc1)C(C)(C)C)c3OC(=O)CSC(=O)c1ccccc1)C(C)(C)C
Systematic name  (3)：
  • テトラキス[2-(ベンゾイルチオ)酢酸]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-テトライル
  • 26,27,28-トリス({[2-(ベンゾイルスルファニル)アセチル]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(28),4,6,9(27),10,12,15(26),16,18,21,23-ドデカエン-25-イル 2-(ベンゾイルスルファニル)アセタート
  • 26,27,28-tris({[2-(benzoylsulfanyl)acetyl]oxy})-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(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl 2-(benzoylsulfanyl)acetate
Other name (1)：
  • Tetrakis[2-(benzoylthio)acetic acid]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-tetrayl ester
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