Chem
J-GLOBAL ID：201707020801763255   Nikkaji number：J3.540.692A

5,11,17,23-Tetraoctyl-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 2,8,14,20-tetraoxide

5,11,17,23-テトラオクチル-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2,8,14,20-テトラオキシド
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： C56H80O4[O-]4[S+]4
Molecular formula furigana： C56-H80-O8-S4
Molecular weight： 1009.490
InChI： InChI=1S/C56H80O8S4/c1-5-9-13-17-21-25-29-41-33-45-53(57)46(34-41)66(62)48-36-43(31-27-23-19-15-11-7-3)38-50(55(48)59)68(64)52-40-44(32-28-24-20-16-12-8-4)39-51(56(52)60)67(63)49-37-42(30-26-22-18-14-10-6-2)35-47(54(49)58)65(45)61/h33-40,57-60H,5-32H2,1-4H3
InChI key： IHYZKJZELSJGOY-UHFFFAOYSA-N
SMILES： CCCCCCCCc1cc2[S+]([O-])c3cc(CCCCCCCC)cc([S+]([O-])c4cc(CCCCCCCC)cc([S+]([O-])c5cc(CCCCCCCC)cc([S+]([O-])c(c1)c2O)c5O)c4O)c3O
Systematic name  (3)：
  • 5,11,17,23-テトラオクチル-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2,8,14,20-テトラオキシド
  • 25,26,27,28-テトラヒドロキシ-5,11,17,23-テトラオクチル-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-2,8,14,20-テトライウム-2,8,14,20-テトラキス(オラート)
  • 25,26,27,28-tetrahydroxy-5,11,17,23-tetraoctyl-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-2,8,14,20-tetraium-2,8,14,20-tetrakis(olate)
Other name (1)：
  • 5,11,17,23-Tetraoctyl-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 2,8,14,20-tetraoxide
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