Chem
J-GLOBAL ID：201307004413761385   Nikkaji number：J3.189.574J

Bis[(S)-2-hydroxy-3,3,3-trifluoropropanoic acid]naphthalene-2,3-diyldimethylene ester

ビス[(S)-2-ヒドロキシ-3,3,3-トリフルオロプロパン酸]ナフタレン-2,3-ジイルジメチレン
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： C18H14F6O6
Molecular formula furigana： C18-H14-F6-O6
Molecular weight： 440.294
InChI： InChI=1S/C18H14F6O6/c19-17(20,21)13(25)15(27)29-7-11-5-9-3-1-2-4-10(9)6-12(11)8-30-16(28)14(26)18(22,23)24/h1-6,13-14,25-26H,7-8H2/t13-,14-/m0/s1
InChI key： NBEWCGMRXBBYFM-KBPBESRZSA-N
SMILES： O[C@@H](C(=O)OCc1cc2ccccc2cc1COC(=O)[C@H](O)C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • ビス[(S)-2-ヒドロキシ-3,3,3-トリフルオロプロパン酸]ナフタレン-2,3-ジイルジメチレン
  • [3-({[(2S)-3,3,3-トリフルオロ-2-ヒドロキシプロパノイル]オキシ}メチル)ナフタレン-2-イル]メチル (2S)-3,3,3-トリフルオロ-2-ヒドロキシプロパノアート
  • [3-({[(2S)-3,3,3-trifluoro-2-hydroxypropanoyl]oxy}methyl)naphthalen-2-yl]methyl (2S)-3,3,3-trifluoro-2-hydroxypropanoate
Other name (1)：
  • Bis[(S)-2-hydroxy-3,3,3-trifluoropropanoic acid]naphthalene-2,3-diyldimethylene ester
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