Chem
J-GLOBAL ID：201507003490547352   Nikkaji number：J3.418.446A

5,5′-(2,1,3-Benzothiadiazole-4,7-diyl)bis[thieno[3,2-b]thiophene-2-carboxylic acid (S)-1-methylheptyl] ester

5,5′-(2,1,3-ベンゾチアジアゾール-4,7-ジイル)ビス[チエノ[3,2-b]チオフェン-2-カルボン酸(S)-1-メチルヘプチル]
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： C36H40N2O4S5
Molecular formula furigana： C36-H40-N2-O4-S5
Molecular weight： 725.030
InChI： InChI=1S/C36H40N2O4S5/c1-5-7-9-11-13-21(3)41-35(39)31-19-29-27(45-31)17-25(43-29)23-15-16-24(34-33(23)37-47-38-34)26-18-28-30(44-26)20-32(46-28)36(40)42-22(4)14-12-10-8-6-2/h15-22H,5-14H2,1-4H3/t21-,22-/m0/s1
InChI key： HVTOBFMORDXKJW-VXKWHMMOSA-N
SMILES： CCCCCC[C@H](C)OC(=O)c1cc2sc(cc2s1)c1ccc(c2cc3sc(cc3s2)C(=O)O[C@@H](C)CCCCCC)c2nsnc12
Systematic name  (3)：
  • 5,5′-(2,1,3-ベンゾチアジアゾール-4,7-ジイル)ビス[チエノ[3,2-b]チオフェン-2-カルボン酸(S)-1-メチルヘプチル]
  • (2S)-オクタン-2-イル 5-[7-(5-{[(2S)-オクタン-2-イルオキシ]カルボニル}チエノ[3,2-b]チオフェン-2-イル)-2,1,3-ベンゾチアジアゾール-4-イル]チエノ[3,2-b]チオフェン-2-カルボキシラート
  • (2S)-octan-2-yl 5-[7-(5-{[(2S)-octan-2-yloxy]carbonyl}thieno[3,2-b]thiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thieno[3,2-b]thiophene-2-carboxylate
Other name (1)：
  • 5,5′-(2,1,3-Benzothiadiazole-4,7-diyl)bis[thieno[3,2-b]thiophene-2-carboxylic acid (S)-1-methylheptyl] ester
Thsaurus map：
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