Chem
J-GLOBAL ID：200907096136025667   Nikkaji number：J1.903.110A

(9aR,9bR)-2,8-Bis(3-formylphenyl)-4,4,5,5,6,6-hexafluoro-9a,9b-dimethyl-5,6,9a,9b-tetrahydro-1,9-dithia-4H-trindene

(9aR,9bR)-2,8-ビス(3-ホルミルフェニル)-4,4,5,5,6,6-ヘキサフルオロ-9a,9b-ジメチル-5,6,9a,9b-テトラヒドロ-1,9-ジチア-4H-トリンデン
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： C29H18F6O2S2
Molecular formula furigana： C29-H18-F6-O2-S2
Molecular weight： 576.570
InChI： InChI=1S/C29H18F6O2S2/c1-25-19(11-21(38-25)17-7-3-5-15(9-17)13-36)23-24(28(32,33)29(34,35)27(23,30)31)20-12-22(39-26(20,25)2)18-8-4-6-16(10-18)14-37/h3-14H,1-2H3/t25-,26-/m1/s1
InChI key： WFYCOBXNGHOISU-CLJLJLNGSA-N
SMILES： C[C@@]12SC(=CC1=C1C(=C3C=C(S[C@@]23C)c2cccc(C=O)c2)C(F)(F)C(F)(F)C1(F)F)c1cccc(C=O)c1
Systematic name  (3)：
  • (9aR,9bR)-2,8-ビス(3-ホルミルフェニル)-4,4,5,5,6,6-ヘキサフルオロ-9a,9b-ジメチル-5,6,9a,9b-テトラヒドロ-1,9-ジチア-4H-トリンデン
  • 3-[(1R,2R)-8,8,9,9,10,10-ヘキサフルオロ-14-(3-ホルミルフェニル)-1,2-ジメチル-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-4-イル]ベンズアルデヒド
  • 3-[(1R,2R)-8,8,9,9,10,10-hexafluoro-14-(3-formylphenyl)-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]benzaldehyde
Other name (1)：
  • (9aR,9bR)-2,8-Bis(3-formylphenyl)-4,4,5,5,6,6-hexafluoro-9a,9b-dimethyl-5,6,9a,9b-tetrahydro-1,9-dithia-4H-trindene
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