Chem
J-GLOBAL ID:200907017065178605   Nikkaji number:J910.237J

(1S,2R,3S,4S)-1-Phenyl-2-fluoro-2-(trifluoromethyl)-3-(p-tolylsulfonylmethyl)-1,4-pentanediol

(1S,2R,3S,4S)-1-フェニル-2-フルオロ-2-(トリフルオロメチル)-3-(p-トリルスルホニルメチル)-1,4-ペンタンジオール
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: C20H22F4O4S
Molecular formula furigana: C20-H22-F4-O4-S
Molecular weight: 434.450
InChI: InChI=1S/C20H22F4O4S/c1-13-8-10-16(11-9-13)29(27,28)12-17(14(2)25)19(21,20(22,23)24)18(26)15-6-4-3-5-7-15/h3-11,14,17-18,25-26H,12H2,1-2H3/t14-,17-,18-,19+/m0/s1
InChI key: LGFOQHLQWUYCRR-UDTPNQRGSA-N
SMILES: C[C@H](O)[C@H](CS(=O)(=O)c1ccc(C)cc1)[C@@](F)([C@@H](O)c1ccccc1)C(F)(F)F
Systematic name  (3):
  • (1S,2R,3S,4S)-1-フェニル-2-フルオロ-2-(トリフルオロメチル)-3-(p-トリルスルホニルメチル)-1,4-ペンタンジオール
  • (1S,2R,3S,4S)-2-フルオロ-3-[(4-メチルベンゼンスルホニル)メチル]-1-フェニル-2-(トリフルオロメチル)ペンタン-1,4-ジオール
  • (1S,2R,3S,4S)-2-fluoro-3-[(4-methylbenzenesulfonyl)methyl]-1-phenyl-2-(trifluoromethyl)pentane-1,4-diol
Other name (1):
  • (1S,2R,3S,4S)-1-Phenyl-2-fluoro-2-(trifluoromethyl)-3-(p-tolylsulfonylmethyl)-1,4-pentanediol
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