Chem
J-GLOBAL ID：201007012187784165   Nikkaji number：J2.851.092F

(S)-3-[4-[4′-(Trifluoromethyl)-3-biphenylylmethoxy]phenyl]-4-hexynoic acid

(S)-3-[4-[4′-(トリフルオロメチル)-3-ビフェニリルメトキシ]フェニル]-4-ヘキシン酸
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： C26H21F3O3
Molecular formula furigana： C26-H21-F3-O3
Molecular weight： 438.446
InChI： InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1
InChI key： ZOPNBMMVVZRSGH-NRFANRHFSA-N
SMILES： CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(c2)c2ccc(cc2)C(F)(F)F)cc1
Systematic name  (3)：
  • (S)-3-[4-[4′-(トリフルオロメチル)-3-ビフェニリルメトキシ]フェニル]-4-ヘキシン酸
  • (3S)-3-(4-{[4'-(トリフルオロメチル)-[1,1'-ビフェニル]-3-イル]メトキシ}フェニル)ヘキサ-4-イン酸
  • (3S)-3-(4-{[4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]methoxy}phenyl)hex-4-ynoic acid
Other name (1)：
  • (S)-3-[4-[4′-(Trifluoromethyl)-3-biphenylylmethoxy]phenyl]-4-hexynoic acid
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