Chem
J-GLOBAL ID：200907003896021841   Nikkaji number：J2.328.480D

3,3′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-6-(2-methyl-1,3-dioxolane-2-yl)benzo[b]thiophene]

3,3′-(3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテン-1,2-ジイル)ビス[2-メチル-6-(2-メチル-1,3-ジオキソラン-2-イル)ベンゾ[b]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： C31H26F6O4S2
Molecular formula furigana： C31-H26-F6-O4-S2
Molecular weight： 640.660
InChI： InChI=1S/C31H26F6O4S2/c1-15-23(19-7-5-17(13-21(19)42-15)27(3)38-9-10-39-27)25-26(30(34,35)31(36,37)29(25,32)33)24-16(2)43-22-14-18(6-8-20(22)24)28(4)40-11-12-41-28/h5-8,13-14H,9-12H2,1-4H3
InChI key： GDQPRHJEIIFSCU-UHFFFAOYSA-N
SMILES： Cc1sc2cc(ccc2c1C1=C(c2c(C)sc3cc(ccc23)C2(C)OCCO2)C(F)(F)C(F)(F)C1(F)F)C1(C)OCCO1
Systematic name  (3)：
  • 3,3′-(3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテン-1,2-ジイル)ビス[2-メチル-6-(2-メチル-1,3-ジオキソラン-2-イル)ベンゾ[b]チオフェン]
  • 2-(3-{3,3,4,4,5,5-ヘキサフルオロ-2-[2-メチル-6-(2-メチル-1,3-ジオキソラン-2-イル)-1-ベンゾチオフェン-3-イル]シクロペンタ-1-エン-1-イル}-2-メチル-1-ベンゾチオフェン-6-イル)-2-メチル-1,3-ジオキソラン
  • 2-(3-{3,3,4,4,5,5-hexafluoro-2-[2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-1-benzothiophen-3-yl]cyclopent-1-en-1-yl}-2-methyl-1-benzothiophen-6-yl)-2-methyl-1,3-dioxolane
Other name (1)：
  • 3,3′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-6-(2-methyl-1,3-dioxolane-2-yl)benzo[b]thiophene]
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