Chem
J-GLOBAL ID:200907024627906087   Nikkaji number:J758.303F

2,2′-[Octane-1,8-diylbis[oxy(4,1-phenylene)]]bis[5-(4-propylphenyl)-1,3,4-thiadiazole]

2,2′-[オクタン-1,8-ジイルビス[オキシ(4,1-フェニレン)]]ビス[5-(4-プロピルフェニル)-1,3,4-チアジアゾール]
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: C42H46N4O2S2
Molecular formula furigana: C42-H46-N4-O2-S2
Molecular weight: 702.980
InChI: InChI=1S/C42H46N4O2S2/c1-3-11-31-13-17-33(18-14-31)39-43-45-41(49-39)35-21-25-37(26-22-35)47-29-9-7-5-6-8-10-30-48-38-27-23-36(24-28-38)42-46-44-40(50-42)34-19-15-32(12-4-2)16-20-34/h13-28H,3-12,29-30H2,1-2H3
InChI key: USSOUFGGOKKYLH-UHFFFAOYSA-N
SMILES: CCCc1ccc(cc1)c1nnc(s1)c1ccc(OCCCCCCCCOc2ccc(cc2)c2nnc(s2)c2ccc(CCC)cc2)cc1
Systematic name  (3):
  • 2,2′-[オクタン-1,8-ジイルビス[オキシ(4,1-フェニレン)]]ビス[5-(4-プロピルフェニル)-1,3,4-チアジアゾール]
  • 2-(4-プロピルフェニル)-5-{4-[(8-{4-[5-(4-プロピルフェニル)-1,3,4-チアジアゾール-2-イル]フェノキシ}オクチル)オキシ]フェニル}-1,3,4-チアジアゾール
  • 2-(4-propylphenyl)-5-{4-[(8-{4-[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]phenoxy}octyl)oxy]phenyl}-1,3,4-thiadiazole
Other name (1):
  • 2,2′-[Octane-1,8-diylbis[oxy(4,1-phenylene)]]bis[5-(4-propylphenyl)-1,3,4-thiadiazole]
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