Chem
J-GLOBAL ID：200907006705255383   Nikkaji number：J979.294E

3,3′-(3,3,4,4,5,5-Hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-5-[4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-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-テトラオキサ-13-アザシクロペンタデカン-13-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： C49H60F6N2O8S2
Molecular formula furigana： C49-H60-F6-N2-O8-S2
Molecular weight： 983.140
InChI： InChI=1S/C49H60F6N2O8S2/c1-35-41(31-43(66-35)39-7-3-37(4-8-39)33-56-11-15-58-19-23-62-27-28-63-24-20-59-16-12-56)45-46(48(52,53)49(54,55)47(45,50)51)42-32-44(67-36(42)2)40-9-5-38(6-10-40)34-57-13-17-60-21-25-64-29-30-65-26-22-61-18-14-57/h3-10,31-32H,11-30,33-34H2,1-2H3
InChI key： YDAFUJPTXOJPIP-UHFFFAOYSA-N
SMILES： Cc1sc(cc1C1=C(c2cc(sc2C)c2ccc(CN3CCOCCOCCOCCOCC3)cc2)C(F)(F)C(F)(F)C1(F)F)c1ccc(CN2CCOCCOCCOCCOCC2)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-テトラオキサ-13-アザシクロペンタデカン-13-イルメチル)フェニル]チオフェン]
  • 13-[(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-テトラオキサ-13-アザシクロペンタデカン-13-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-テトラオキサ-13-アザシクロペンタデカン
  • 13-[(4-{4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-{4-[(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)methyl]phenyl}thiophen-3-yl)cyclopent-1-en-1-yl]-5-methylthiophen-2-yl}phenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
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-tetraoxa-13-azacyclopentadecane-13-ylmethyl)phenyl]thiophene]
Thsaurus map：
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