Chem
J-GLOBAL ID:200907049411186627   Nikkaji number:J1.106.858H

Acetic acid 2,5-bis[[4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentadecafluoropentadecane-1-yl)oxy]benzoyl]oxy]benzyl ester

酢酸2,5-ビス[[4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタデカフルオロペンタデカン-1-イル)オキシ]ベンゾイル]オキシ]ベンジル
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: C53H48F30O8
Molecular formula furigana: C53-H48-F30-O8
Molecular weight: 1382.911
InChI: InChI=1S/C53H48F30O8/c1-30(84)89-29-33-28-36(90-38(85)31-14-18-34(19-15-31)87-26-12-8-4-2-6-10-24-40(54,55)42(58,59)44(62,63)46(66,67)48(70,71)50(74,75)52(78,79)80)22-23-37(33)91-39(86)32-16-20-35(21-17-32)88-27-13-9-5-3-7-11-25-41(56,57)43(60,61)45(64,65)47(68,69)49(72,73)51(76,77)53(81,82)83/h14-23,28H,2-13,24-27,29H2,1H3
InChI key: FJYNLPFJDDMTIM-UHFFFAOYSA-N
SMILES: CC(=O)OCc1cc(OC(=O)c2ccc(OCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)ccc1OC(=O)c1ccc(OCCCCCCCCC(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):
  • 酢酸2,5-ビス[[4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタデカフルオロペンタデカン-1-イル)オキシ]ベンゾイル]オキシ]ベンジル
  • 3-[(アセチルオキシ)メチル]-4-{4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタデカフルオロペンタデシル)オキシ]ベンゾイルオキシ}フェニル 4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ペンタデカフルオロペンタデシル)オキシ]ベンゾアート
  • 3-[(acetyloxy)methyl]-4-{4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentadecafluoropentadecyl)oxy]benzoyloxy}phenyl 4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentadecafluoropentadecyl)oxy]benzoate
Other name (1):
  • Acetic acid 2,5-bis[[4-[(9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentadecafluoropentadecane-1-yl)oxy]benzoyl]oxy]benzyl ester
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