Chem
J-GLOBAL ID：200907034647130544   Nikkaji number：J2.502.764G

2,2′-(2,2′-Bithiophene-5,5′-diyl)bis[3,4-dihexyl-5-[5-[7-hexyl-2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl]-2-thienyl]thiophene 1,1-dioxide]

2,2′-(2,2′-ビチオフェン-5,5′-ジイル)ビス[3,4-ジヘキシル-5-[5-[7-ヘキシル-2,3-ジヒドロチエノ[3,4-b]-1,4-ジオキシン-5-イル]-2-チエニル]チオフェン1,1-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： C72H94O4[O-]4S6[S+2]2
Molecular formula furigana： C72-H94-O8-S8
Molecular weight： 1344.020
InChI： InChI=1S/C72H94O8S8/c1-7-13-19-25-31-49-51(33-27-21-15-9-3)71(61-43-39-57(83-61)67-65-63(77-45-47-79-65)55(85-67)35-29-23-17-11-5)87(73,74)69(49)59-41-37-53(81-59)54-38-42-60(82-54)70-50(32-26-20-14-8-2)52(34-28-22-16-10-4)72(88(70,75)76)62-44-40-58(84-62)68-66-64(78-46-48-80-66)56(86-68)36-30-24-18-12-6/h37-44H,7-36,45-48H2,1-6H3
InChI key： WFHBRTRMIXDZBA-UHFFFAOYSA-N
SMILES： CCCCCCC1=C(c2ccc(s2)c2ccc(s2)C2=C(CCCCCC)C(=C(c3ccc(s3)c3sc(CCCCCC)c4OCCOc34)[S+2]2([O-])[O-])CCCCCC)[S+2]([O-])([O-])C(=C1CCCCCC)c1ccc(s1)c1sc(CCCCCC)c2OCCOc12
Systematic name  (3)：
  • 2,2′-(2,2′-ビチオフェン-5,5′-ジイル)ビス[3,4-ジヘキシル-5-[5-[7-ヘキシル-2,3-ジヒドロチエノ[3,4-b]-1,4-ジオキシン-5-イル]-2-チエニル]チオフェン1,1-ジオキシド]
  • 5-[5'-(3,4-ジヘキシル-5'-{7-ヘキシル-2H,3H-チエノ[3,4-b][1,4]ジオキシン-5-イル}-1,1-ジオキシド-1H-[2,2'-ビチオフェン]-1,1-ジイウム-5-イル)-[2,2'-ビチオフェン]-5-イル]-3,4-ジヘキシル-5'-{7-ヘキシル-2H,3H-チエノ[3,4-b][1,4]ジオキシン-5-イル}-1H-[2,2'-ビチオフェン]-1,1-ジイウム-1,1-ビス(オラート)
  • 5-[5'-(3,4-dihexyl-5'-{7-hexyl-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl}-1,1-dioxido-1H-[2,2'-bithiophene]-1,1-diium-5-yl)-[2,2'-bithiophen]-5-yl]-3,4-dihexyl-5'-{7-hexyl-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl}-1H-[2,2'-bithiophene]-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 2,2′-(2,2′-Bithiophene-5,5′-diyl)bis[3,4-dihexyl-5-[5-[7-hexyl-2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl]-2-thienyl]thiophene 1,1-dioxide]
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