Chem
J-GLOBAL ID：201107087152309801   Nikkaji number：J2.968.991A

1-(2-Oxylato-3,3,4,4-tetrafluoro-5-oxo-1-cyclopentenyl)-4-[4-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-4′-(heptafluoro-1-cyclopentenyl)-5′-methyl-2,2′-bithiophene-5-yl]pyridinium

1-(2-オキシラト-3,3,4,4-テトラフルオロ-5-オキソ-1-シクロペンテニル)-4-[4-[2-[(テトラヒドロ-2H-ピラン-2-イル)オキシ]エチル]-4′-(ヘプタフルオロ-1-シクロペンテニル)-5′-メチル-2,2′-ビチオフェン-5-イル]ピリジニウム
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： C31H22F11[N+]O3[O-]S2
Molecular formula furigana： C31-H22-F11-N-O4-S2
Molecular weight： 745.620
InChI： InChI=1S/C31H22F11NO4S2/c1-14-17(21-24(32)28(35,36)31(41,42)27(21,33)34)13-19(48-14)18-12-16(7-11-47-20-4-2-3-10-46-20)23(49-18)15-5-8-43(9-6-15)22-25(44)29(37,38)30(39,40)26(22)45/h5-6,8-9,12-13,20H,2-4,7,10-11H2,1H3
InChI key： DOIWBBBFYYCHQH-UHFFFAOYSA-N
SMILES： Cc1sc(cc1C1=C(F)C(F)(F)C(F)(F)C1(F)F)c1cc(CCOC2CCCCO2)c(s1)c1cc[n+](cc1)C1=C([O-])C(F)(F)C(F)(F)C1=O
Systematic name  (3)：
  • 1-(2-オキシラト-3,3,4,4-テトラフルオロ-5-オキソ-1-シクロペンテニル)-4-[4-[2-[(テトラヒドロ-2H-ピラン-2-イル)オキシ]エチル]-4′-(ヘプタフルオロ-1-シクロペンテニル)-5′-メチル-2,2′-ビチオフェン-5-イル]ピリジニウム
  • 4-[4'-(2,3,3,4,4,5,5-ヘプタフルオロシクロペンタ-1-エン-1-イル)-5'-メチル-4-[2-(オキサン-2-イルオキシ)エチル]-[2,2'-ビチオフェン]-5-イル]-1-(3,3,4,4-テトラフルオロ-2-オキシド-5-オキソシクロペンタ-1-エン-1-イル)-1λ5-ピリジン-1-イリウム
  • 4-[4'-(2,3,3,4,4,5,5-heptafluorocyclopent-1-en-1-yl)-5'-methyl-4-[2-(oxan-2-yloxy)ethyl]-[2,2'-bithiophen]-5-yl]-1-(3,3,4,4-tetrafluoro-2-oxido-5-oxocyclopent-1-en-1-yl)-1λ5-pyridin-1-ylium
Other name (1)：
  • 1-(2-Oxylato-3,3,4,4-tetrafluoro-5-oxo-1-cyclopentenyl)-4-[4-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-4′-(heptafluoro-1-cyclopentenyl)-5′-methyl-2,2′-bithiophene-5-yl]pyridinium
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