Chem
J-GLOBAL ID：201007078327573322   Nikkaji number：J2.802.008B

2-(2,1,3-Benzooxadiazole-4-yl)-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b′]dithiophene

2-(2,1,3-ベンゾオキサジアゾール-4-イル)-4,4-ビス(2-エチルヘキシル)-4H-シクロペンタ[2,1-b:3,4-b′]ジチオフェン
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： C31H40N2OS2
Molecular formula furigana： C31-H40-N2-O-S2
Molecular weight： 520.789
InChI： InChI=1S/C31H40N2OS2/c1-5-9-12-21(7-3)19-31(20-22(8-4)13-10-6-2)24-16-17-35-29(24)30-25(31)18-27(36-30)23-14-11-15-26-28(23)33-34-32-26/h11,14-18,21-22H,5-10,12-13,19-20H2,1-4H3
InChI key： GSYPZKSPMYXMEW-UHFFFAOYSA-N
SMILES： CCCCC(CC)CC1(CC(CC)CCCC)c2ccsc2c2sc(cc12)c1cccc2nonc12
Systematic name  (3)：
  • 2-(2,1,3-ベンゾオキサジアゾール-4-イル)-4,4-ビス(2-エチルヘキシル)-4H-シクロペンタ[2,1-b:3,4-b′]ジチオフェン
  • 4-[7,7-ビス(2-エチルヘキシル)-3,11-ジチアトリシクロ[6.3.0.02,6]ウンデカ-1(8),2(6),4,9-テトラエン-4-イル]-2,1,3-ベンゾオキサジアゾール
  • 4-[7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,1,3-benzoxadiazole
Other name (1)：
  • 2-(2,1,3-Benzooxadiazole-4-yl)-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b′]dithiophene
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