Chem
J-GLOBAL ID：200907062437470907   Nikkaji number：J1.524.876I

Octanedioic acid 1-(5,5′-thio-4,4′-bi[1-benzothiophene]-2-ylmethyl) ester

オクタン二酸1-(5,5′-チオ-4,4′-ビ[1-ベンゾチオフェン]-2-イルメチル)
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： C25H22O4S3
Molecular formula furigana： C25-H22-O4-S3
Molecular weight： 482.630
InChI： InChI=1S/C25H22O4S3/c26-22(27)5-3-1-2-4-6-23(28)29-14-15-13-17-19(31-15)8-10-21-25(17)24-16-11-12-30-18(16)7-9-20(24)32-21/h7-13H,1-6,14H2,(H,26,27)
InChI key： QETCHLATEWRZSB-UHFFFAOYSA-N
SMILES： OC(=O)CCCCCCC(=O)OCc1cc2c(ccc3sc4ccc5sccc5c4c23)s1
Systematic name  (5)：
  • オクタン二酸1-チエノ[3,2-e:4,5-e′]ビス[1]ベンゾチオフェン-2-イルメチル
  • オクタン二酸1-(5,5′-チオ-4,4′-ビ[1-ベンゾチオフェン]-2-イルメチル)
  • 8-オキソ-8-[(チエノ[3,2-e:4,5-e′]ビス[1]ベンゾチオフェン-2-イル)メトキシ]オクタン酸
  • 8-オキソ-8-({6,11,16-トリチアペンタシクロ[10.7.0.02,10.03,7.015,19]ノナデカ-1(12),2(10),3(7),4,8,13,15(19),17-オクタエン-5-イル}メトキシ)オクタン酸
  • 8-oxo-8-({6,11,16-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),4,8,13,15(19),17-octaen-5-yl}methoxy)octanoic acid
Other name (3)：
  • Octanedioic acid 1-thieno[3,2-e:4,5-e′]bis[1]benzothiophene-2-ylmethyl ester
  • Octanedioic acid 1-(5,5′-thio-4,4′-bi[1-benzothiophene]-2-ylmethyl) ester
  • 8-Oxo-8-[(thieno[3,2-e:4,5-e′]bis[1]benzothiophene-2-yl)methoxy]octanoic acid
Thsaurus map：
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