Chem
J-GLOBAL ID:201807005735297149   Nikkaji number:J3.721.583J

4,4′-(7,7,8,8,9,9-Hexafluoro-7,8,9,9c-tetrahydro-3aα,9cβ-dimethyl-3aH-3,4-dithia-3H-cyclopenta[a]acenaphthylene-2,5-diyl)bis(N-hexadecylbenzamide)

4,4′-(7,7,8,8,9,9-ヘキサフルオロ-7,8,9,9c-テトラヒドロ-3aα,9cβ-ジメチル-3aH-3,4-ジチア-3H-シクロペンタ[a]アセナフチレン-2,5-ジイル)ビス(N-ヘキサデシルベンズアミド)
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: C61H84F6N2O2S2
Molecular formula furigana: C61-H84-F6-N2-O2-S2
Molecular weight: 1055.470
InChI: InChI=1S/C61H84F6N2O2S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-68-55(70)47-37-33-45(34-38-47)51-43-49-53-54(60(64,65)61(66,67)59(53,62)63)50-44-52(73-58(4,72-51)57(49,50)3)46-35-39-48(40-36-46)56(71)69-42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-40,43-44H,5-32,41-42H2,1-4H3,(H,68,70)(H,69,71)
InChI key: DARYBQRBMCOVED-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C1=CC2=C3C(=C4C=C(SC(C)(S1)C24C)c1ccc(cc1)C(=O)NCCCCCCCCCCCCCCCC)C(F)(F)C(F)(F)C3(F)F
Systematic name  (1):
  • 4,4′-(7,7,8,8,9,9-ヘキサフルオロ-7,8,9,9c-テトラヒドロ-3aα,9cβ-ジメチル-3aH-3,4-ジチア-3H-シクロペンタ[a]アセナフチレン-2,5-ジイル)ビス(N-ヘキサデシルベンズアミド)
Other name (1):
  • 4,4′-(7,7,8,8,9,9-Hexafluoro-7,8,9,9c-tetrahydro-3aα,9cβ-dimethyl-3aH-3,4-dithia-3H-cyclopenta[a]acenaphthylene-2,5-diyl)bis(N-hexadecylbenzamide)
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