Chem
J-GLOBAL ID：201707003483940450   Nikkaji number：J3.665.499F

2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-7-octyl[1]benzothieno[3,2-b][1]benzothiophene

2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)-7-オクチル[1]ベンゾチエノ[3,2-b][1]ベンゾチオフェン
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： C33H29F17S2
Molecular formula furigana： C33-H29-F17-S2
Molecular weight： 812.690
InChI： InChI=1S/C33H29F17S2/c1-2-3-4-5-6-7-9-18-11-13-20-22(16-18)51-25-21-14-12-19(17-23(21)52-24(20)25)10-8-15-26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)50/h11-14,16-17H,2-10,15H2,1H3
InChI key： TXEZILLKIMYSRZ-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccc2c(c1)sc1c3ccc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3sc21
Systematic name  (3)：
  • 2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)-7-オクチル[1]ベンゾチエノ[3,2-b][1]ベンゾチオフェン
  • 5-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-ヘプタデカフルオロウンデシル)-13-オクチル-8,16-ジチアテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-1(9),2,4,6,10(15),11,13-ヘプタエン
  • 5-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-13-octyl-8,16-dithiatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10(15),11,13-heptaene
Other name (1)：
  • 2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-7-octyl[1]benzothieno[3,2-b][1]benzothiophene
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