Chem
J-GLOBAL ID：201307096092116557   Nikkaji number：J3.124.585K

Pentafluorobenzoic acid 4′-(heptyloxy)-4-biphenylyl ester

ペンタフルオロ安息香酸4′-(ヘプチルオキシ)-4-ビフェニリル
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： C26H23F5O3
Molecular formula furigana： C26-H23-F5-O3
Molecular weight： 478.459
InChI： InChI=1S/C26H23F5O3/c1-2-3-4-5-6-15-33-18-11-7-16(8-12-18)17-9-13-19(14-10-17)34-26(32)20-21(27)23(29)25(31)24(30)22(20)28/h7-14H,2-6,15H2,1H3
InChI key： RAXNZZAOUIAPMJ-UHFFFAOYSA-N
SMILES： CCCCCCCOc1ccc(cc1)c1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Systematic name  (3)：
  • ペンタフルオロ安息香酸4′-(ヘプチルオキシ)-4-ビフェニリル
  • 4'-(ヘプチルオキシ)-[1,1'-ビフェニル]-4-イル 2,3,4,5,6-ペンタフルオロベンゾアート
  • 4'-(heptyloxy)-[1,1'-biphenyl]-4-yl 2,3,4,5,6-pentafluorobenzoate
Other name (1)：
  • Pentafluorobenzoic acid 4′-(heptyloxy)-4-biphenylyl ester
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