Chem
J-GLOBAL ID：200907052525148025   Nikkaji number：J1.337.695F

2,5-Bis[3,4-bis(hexyloxy)-2-thienyl]-8-thia(IV)-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentene

4,7-ビス[3,4-ビス(ヘキシルオキシ)チオフェン-2-イル]-2λ4,1,3-ベンゾチアジアゾール
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： C38H56N2O4S3
Molecular formula furigana： C38-H56-N2-O4-S3
Molecular weight： 701.060
InChI： InChI=1S/C38H56N2O4S3/c1-5-9-13-17-23-41-31-27-45-37(35(31)43-25-19-15-11-7-3)29-21-22-30(34-33(29)39-47-40-34)38-36(44-26-20-16-12-8-4)32(28-46-38)42-24-18-14-10-6-2/h21-22,27-28H,5-20,23-26H2,1-4H3
InChI key： JMKFOWNQPLBODH-UHFFFAOYSA-N
SMILES： CCCCCCOc1csc(c1OCCCCCC)c1ccc(c2nsnc12)c1scc(OCCCCCC)c1OCCCCCC
Systematic name  (3)：
  • 2,5-ビス[3,4-ビス(ヘキシルオキシ)-2-チエニル]-8-チア(IV)-7,9-ジアザビシクロ[4.3.0]ノナ-1(6),2,4,7,8-ペンタエン
  • 4,7-ビス[3,4-ビス(ヘキシルオキシ)チオフェン-2-イル]-2λ4,1,3-ベンゾチアジアゾール
  • 4,7-bis[3,4-bis(hexyloxy)thiophen-2-yl]-2λ4,1,3-benzothiadiazole
Other name (1)：
  • 2,5-Bis[3,4-bis(hexyloxy)-2-thienyl]-8-thia(IV)-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentene
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