Chem
J-GLOBAL ID：201707002945663052   Nikkaji number：J3.645.410E

(8aS)-8aβ,8bα-Dimethyl-9,9,10,10,11,11-hexafluoro-4,5-propano-8a,8b-dihydrobenzo[2,1-b:3,4-b′]dithiophene-2,7-dicarboxylic acid dimethyl ester

(8aS)-8aβ,8bα-ジメチル-9,9,10,10,11,11-ヘキサフルオロ-4,5-プロパノ-8a,8b-ジヒドロベンゾ[2,1-b:3,4-b′]ジチオフェン-2,7-ジカルボン酸ジメチル
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： C19H14F6O4S2
Molecular formula furigana： C19-H14-F6-O4-S2
Molecular weight： 484.430
InChI： InChI=1S/C19H14F6O4S2/c1-15-7(5-9(30-15)13(26)28-3)11-12(18(22,23)19(24,25)17(11,20)21)8-6-10(14(27)29-4)31-16(8,15)2/h5-6H,1-4H3/t15-,16-/m0/s1
InChI key： LCFYYKMOPQVQSX-HOTGVXAUSA-N
SMILES： COC(=O)C1=CC2=C3C(=C4C=C(S[C@]4(C)[C@@]2(C)S1)C(=O)OC)C(F)(F)C(F)(F)C3(F)F
Systematic name  (1)：
  • (8aS)-8aβ,8bα-ジメチル-9,9,10,10,11,11-ヘキサフルオロ-4,5-プロパノ-8a,8b-ジヒドロベンゾ[2,1-b:3,4-b′]ジチオフェン-2,7-ジカルボン酸ジメチル
Other name (1)：
  • (8aS)-8aβ,8bα-Dimethyl-9,9,10,10,11,11-hexafluoro-4,5-propano-8a,8b-dihydrobenzo[2,1-b:3,4-b′]dithiophene-2,7-dicarboxylic acid dimethyl ester
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