Chem
J-GLOBAL ID:200907003475140221
Nikkaji number:J2.404.776H
(S)-α-Hydroxy-α-(trifluoromethyl)-4-(2-bromobenzyloxy)benzeneacetic acid ethyl ester
(S)-α-ヒドロキシ-α-(トリフルオロメチル)-4-(2-ブロモベンジルオキシ)ベンゼン酢酸エチル
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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:
C18 H16 BrF3 O4
Molecular formula furigana:
C18-H16-BR-F3-O4
Molecular weight:
433.221
InChI:
InChI=1S/C18H16BrF3O4/c1-2-25-16(23)17(24,18(20,21)22)13-7-9-14(10-8-13)26-11-12-5-3-4-6-15(12)19/h3-10,24H,2,11H2,1H3/t17-/m0/s1
InChI key:
SECLSSZRNKIWIS-KRWDZBQOSA-N
SMILES:
CCOC(=O)[C@@](O)(c1ccc(OCc2ccccc2Br)cc1)C(F)(F)F
Systematic name (3):
(S)-α-ヒドロキシ-α-(トリフルオロメチル)-4-(2-ブロモベンジルオキシ)ベンゼン酢酸エチル
エチル (2S)-2-{4-[(2-ブロモフェニル)メトキシ]フェニル}-3,3,3-トリフルオロ-2-ヒドロキシプロパノアート
ethyl (2S)-2-{4-[(2-bromophenyl)methoxy]phenyl}-3,3,3-trifluoro-2-hydroxypropanoate
Other name (1):
(S)-α-Hydroxy-α-(trifluoromethyl)-4-(2-bromobenzyloxy)benzeneacetic acid ethyl ester
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