Chem
J-GLOBAL ID：200907069295514469   Nikkaji number：J1.647.954C

(S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (R)-1-vinyl-2,4-pentadiyne-1-yl ester

(S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(R)-1-ビニル-2,4-ペンタジイン-1-イル
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： C17H13F3O3
Molecular formula furigana： C17-H13-F3-O3
Molecular weight： 322.283
InChI： InChI=1S/C17H13F3O3/c1-4-6-12-14(5-2)23-15(21)16(22-3,17(18,19)20)13-10-8-7-9-11-13/h1,5,7-11,14H,2H2,3H3/t14-,16+/m1/s1
InChI key： JTJFXOZHFJHQFC-ZBFHGGJFSA-N
SMILES： CO[C@](C(=O)O[C@H](C=C)C#CC#C)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • (S)-α-メトキシ-α-(トリフルオロメチル)ベンゼン酢酸(R)-1-ビニル-2,4-ペンタジイン-1-イル
  • (3R)-ヘプタ-1-エン-4,6-ジイン-3-イル (2S)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
  • (3R)-hept-1-en-4,6-diyn-3-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • (S)-α-Methoxy-α-(trifluoromethyl)benzeneacetic acid (R)-1-vinyl-2,4-pentadiyne-1-yl ester
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