Chem
J-GLOBAL ID:200907048362547299   Nikkaji number:J1.991.260D

4,4′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[5-methylthiophene-2-carboxylic acid (1R,3R,4S)-p-mentha-3-yl] ester

4,4′-(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[5-メチルチオフェン-2-カルボン酸(1R,3R,4S)-p-メンタ-3-イル]
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: C37H46F6O4S2
Molecular formula furigana: C37-H46-F6-O4-S2
Molecular weight: 732.880
InChI: InChI=1S/C37H46F6O4S2/c1-17(2)23-11-9-19(5)13-27(23)46-33(44)29-15-25(21(7)48-29)31-32(36(40,41)37(42,43)35(31,38)39)26-16-30(49-22(26)8)34(45)47-28-14-20(6)10-12-24(28)18(3)4/h15-20,23-24,27-28H,9-14H2,1-8H3/t19-,20-,23+,24+,27-,28-/m1/s1
InChI key: YSLOFPQBVJZKOT-BWULJHIQSA-N
SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cc(C2=C(c3cc(sc3C)C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(F)(F)C(F)(F)C2(F)F)c(C)s1
Systematic name  (4):
  • 4,4′-(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[5-メチルチオフェン-2-カルボン酸(1R,3R,4S)-p-メンタ-3-イル]
  • 3,3′-(3,3,4,4,5,5-ヘキサフルオロシクロペンテン-1,2-ジイル)ビス[2-メチルチオフェン-5-カルボン酸(1R,2S,5R)-2-イソプロピル-5-メチルシクロヘキシル]
  • (1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル 4-{3,3,4,4,5,5-ヘキサフルオロ-2-[2-メチル-5-({[(1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}カルボニル)チオフェン-3-イル]シクロペンタ-1-エン-1-イル}-5-メチルチオフェン-2-カルボキシラート
  • (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 4-{3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)thiophen-3-yl]cyclopent-1-en-1-yl}-5-methylthiophene-2-carboxylate
Other name (2):
  • 4,4′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[5-methylthiophene-2-carboxylic acid (1R,3R,4S)-p-mentha-3-yl] ester
  • 3,3′-(3,3,4,4,5,5-Hexafluorocyclopentene-1,2-diyl)bis[2-methylthiophene-5-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] ester
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