Chem
J-GLOBAL ID：200907010783011838   Nikkaji number：J2.444.612C

2-Methyl-3-[2-(1-oxo-2-methyl-1-thia(IV)-1H-indene-3-yl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]benzo[b]thiophene 1,1-dioxide

2-メチル-3-[2-(1-オキソ-2-メチル-1-チア(IV)-1H-インデン-3-イル)-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]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： C23H14F6O[O-]2S[S+2]
Molecular formula furigana： C23-H14-F6-O3-S2
Molecular weight： 516.470
InChI： InChI=1S/C23H14F6O3S2/c1-11-17(13-7-3-5-9-15(13)33(11)30)19-20(22(26,27)23(28,29)21(19,24)25)18-12(2)34(31,32)16-10-6-4-8-14(16)18/h3-10H,1-2H3
InChI key： LHHGYBXZGJGENW-UHFFFAOYSA-N
SMILES： CC1=C(C2=C(c3c(C)s(=O)c4ccccc34)C(F)(F)C(F)(F)C2(F)F)c2ccccc2[S+2]1([O-])[O-]
Systematic name  (3)：
  • 2-メチル-3-[2-(1-オキソ-2-メチル-1-チア(IV)-1H-インデン-3-イル)-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]ベンゾ[b]チオフェン1,1-ジオキシド
  • 3-[3,3,4,4,5,5-ヘキサフルオロ-2-(2-メチル-1-オキソ-1λ4-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-1H-1-ベンゾチオフェン-1,1-ジイウム-1,1-ビス(オラート)
  • 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-oxo-1λ4-benzothiophen-3-yl)cyclopent-1-en-1-yl]-2-methyl-1H-1-benzothiophene-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 2-Methyl-3-[2-(1-oxo-2-methyl-1-thia(IV)-1H-indene-3-yl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]benzo[b]thiophene 1,1-dioxide
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