Chem
J-GLOBAL ID：200907024719028825   Nikkaji number：J2.328.478B

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

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-アセチルベンゾ[b]チオフェン1,1-ジオキシド)
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： C27H18F6O2[O-]4[S+2]2
Molecular formula furigana： C27-H18-F6-O6-S2
Molecular weight： 616.550
InChI： InChI=1S/C27H18F6O6S2/c1-11(34)15-5-7-17-19(9-15)40(36,37)13(3)21(17)23-24(26(30,31)27(32,33)25(23,28)29)22-14(4)41(38,39)20-10-16(12(2)35)6-8-18(20)22/h5-10H,1-4H3
InChI key： JRDQEIGFIMKVDJ-UHFFFAOYSA-N
SMILES： CC(=O)c1ccc2C(=C(C)[S+2]([O-])([O-])c2c1)C1=C(C2=C(C)[S+2]([O-])([O-])c3cc(ccc23)C(=O)C)C(F)(F)C(F)(F)C1(F)F
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-アセチルベンゾ[b]チオフェン1,1-ジオキシド)
  • 6-アセチル-3-[2-(6-アセチル-2-メチル-1,1-ジオキシド-1H-1-ベンゾチオフェン-1,1-ジイウム-3-イル)-3,3,4,4,5,5-ヘキサフルオロシクロペンタ-1-エン-1-イル]-2-メチル-1H-1-ベンゾチオフェン-1,1-ジイウム-1,1-ビス(オラート)
  • 6-acetyl-3-[2-(6-acetyl-2-methyl-1,1-dioxido-1H-1-benzothiophene-1,1-diium-3-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl]-2-methyl-1H-1-benzothiophene-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 3,3′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis(2-methyl-6-acetylbenzo[b]thiophene 1,1-dioxide)
Thsaurus map：
Thesaurus Map

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