Chem
J-GLOBAL ID：200907032827024863   Nikkaji number：J2.328.479K

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 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-(2-メチル-1,3-ジオキソラン-2-イル)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： C31H26F6O4[O-]4[S+2]2
Molecular formula furigana： C31-H26-F6-O8-S2
Molecular weight： 704.650
InChI： InChI=1S/C31H26F6O8S2/c1-15-23(19-7-5-17(13-21(19)46(15,38)39)27(3)42-9-10-43-27)25-26(30(34,35)31(36,37)29(25,32)33)24-16(2)47(40,41)22-14-18(6-8-20(22)24)28(4)44-11-12-45-28/h5-8,13-14H,9-12H2,1-4H3
InChI key： UWFMWAIFTIYXCL-UHFFFAOYSA-N
SMILES： CC1=C(C2=C(C3=C(C)[S+2]([O-])([O-])c4cc(ccc34)C3(C)OCCO3)C(F)(F)C(F)(F)C2(F)F)c2ccc(cc2[S+2]1([O-])[O-])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-6-(2-メチル-1,3-ジオキソラン-2-イル)-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]シクロペンタ-1-エン-1-イル}-2-メチル-6-(2-メチル-1,3-ジオキソラン-2-イル)-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-6-(2-methyl-1,3-dioxolan-2-yl)-1,1-dioxido-1H-1-benzothiophene-1,1-diium-3-yl]cyclopent-1-en-1-yl}-2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-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-(2-methyl-1,3-dioxolane-2-yl)benzo[b]thiophene 1,1-dioxide]
Thsaurus map：
Thesaurus Map

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