Chem
J-GLOBAL ID:201407072164116841   Nikkaji number:J3.247.558B

4,4′-[2,3,6a,6b-Tetrahydro-1,1,2,2,3,3-hexafluoro-6aα,6bβ-dimethyl-6,7-dithia-1H-trindene-5,8-diyl]bis(N-hexadecylbenzamide)

4,4′-[2,3,6a,6b-テトラヒドロ-1,1,2,2,3,3-ヘキサフルオロ-6aα,6bβ-ジメチル-6,7-ジチア-1H-トリンデン-5,8-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(50,4)57(49,3)72-51)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)/t57-,58-/m1/s1
InChI key: MLDZGMNVFSDJPI-YZCGSYMESA-N
SMILES: CCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C1=CC2=C3C(=C4C=C(S[C@@]4(C)[C@]2(C)S1)c1ccc(cc1)C(=O)NCCCCCCCCCCCCCCCC)C(F)(F)C(F)(F)C3(F)F
Systematic name  (3):
  • 4,4′-[(6aR,6bR)-6a,6b-ジメチル-1,1,2,2,3,3-ヘキサフルオロ-2,3,6a,6b-テトラヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイル]ビス(N-ヘキサデシルベンズアミド)
  • N,N′-ジヘキサデシル[4,4′-[6α,7β-ジメチル-13,13,14,14,15,15-ヘキサフルオロ-5,8-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカン-1,3,9,11-テトラエン-4,9-ジイル]ビス(ベンズアミド)]
  • 4,4′-[2,3,6a,6b-テトラヒドロ-1,1,2,2,3,3-ヘキサフルオロ-6aα,6bβ-ジメチル-6,7-ジチア-1H-トリンデン-5,8-ジイル]ビス(N-ヘキサデシルベンズアミド)
Other name (3):
  • 4,4′-[(6aR,6bR)-6a,6b-Dimethyl-1,1,2,2,3,3-hexafluoro-2,3,6a,6b-tetrahydro-6,7-dithia-1H-trindene-5,8-diyl]bis(N-hexadecylbenzamide)
  • N,N′-Dihexadecyl[4,4′-[6α,7β-dimethyl-13,13,14,14,15,15-hexafluoro-5,8-dithiatetracyclo[10.3.0.02,6.07,11]pentadecane-1,3,9,11-tetraene-4,9-diyl]bis(benzamide)]
  • 4,4′-[2,3,6a,6b-Tetrahydro-1,1,2,2,3,3-hexafluoro-6aα,6bβ-dimethyl-6,7-dithia-1H-trindene-5,8-diyl]bis(N-hexadecylbenzamide)
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