Chem
J-GLOBAL ID：201507024598017240   Nikkaji number：J3.382.718K

1-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadecyloxy]-4-(4-methylphenoxy)butane

1-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロペンタデシルオキシ]-4-(4-メチルフェノキシ)ブタン
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： C49H41F51O2
Molecular formula furigana： C49-H41-F51-O2
Molecular weight： 1630.784
InChI： InChI=1S/C49H41F51O2/c1-23-10-12-24(13-11-23)102-21-9-8-20-101-22-25(18-19-28(54,55)31(60,61)34(66,67)37(72,73)40(78,79)43(84,85)46(90,91)49(98,99)100,14-4-2-6-16-26(50,51)29(56,57)32(62,63)35(68,69)38(74,75)41(80,81)44(86,87)47(92,93)94)15-5-3-7-17-27(52,53)30(58,59)33(64,65)36(70,71)39(76,77)42(82,83)45(88,89)48(95,96)97/h10-13H,2-9,14-22H2,1H3
InChI key： XSRSYKRTNLHUCT-UHFFFAOYSA-N
SMILES： Cc1ccc(OCCCCOCC(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
Systematic name  (3)：
  • 1-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロペンタデシルオキシ]-4-(4-メチルフェノキシ)ブタン
  • 1-(4-{[8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロ-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)ペンタデシル]オキシ}ブトキシ)-4-メチルベンゼン
  • 1-(4-{[8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)pentadecyl]oxy}butoxy)-4-methylbenzene
Other name (1)：
  • 1-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadecyloxy]-4-(4-methylphenoxy)butane
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