Chem
J-GLOBAL ID：200907091253106013   Nikkaji number：J979.295C

3,3′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-5-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-ylmethyl)phenyl]thiophene]

3,3′-(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[2-メチル-5-[4-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-イルメチル)フェニル]チオフェン]
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： C53H68F6N2O10S2
Molecular formula furigana： C53-H68-F6-N2-O10-S2
Molecular weight： 1071.240
InChI： InChI=1S/C53H68F6N2O10S2/c1-39-45(35-47(72-39)43-7-3-41(4-8-43)37-60-11-15-62-19-23-66-27-31-70-32-28-67-24-20-63-16-12-60)49-50(52(56,57)53(58,59)51(49,54)55)46-36-48(73-40(46)2)44-9-5-42(6-10-44)38-61-13-17-64-21-25-68-29-33-71-34-30-69-26-22-65-18-14-61/h3-10,35-36H,11-34,37-38H2,1-2H3
InChI key： BYMFDOXQGXYBGM-UHFFFAOYSA-N
SMILES： Cc1sc(cc1C1=C(c2cc(sc2C)c2ccc(CN3CCOCCOCCOCCOCCOCC3)cc2)C(F)(F)C(F)(F)C1(F)F)c1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1
Systematic name  (3)：
  • 3,3′-(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[2-メチル-5-[4-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-イルメチル)フェニル]チオフェン]
  • 16-[(4-{4-[3,3,4,4,5,5-ヘキサフルオロ-2-(2-メチル-5-{4-[(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-イル)メチル]フェニル}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-イル}フェニル)メチル]-1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン
  • 16-[(4-{4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-{4-[(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)methyl]phenyl}thiophen-3-yl)cyclopent-1-en-1-yl]-5-methylthiophen-2-yl}phenyl)methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
Other name (1)：
  • 3,3′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-5-[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-ylmethyl)phenyl]thiophene]
Thsaurus map：
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