Chem
J-GLOBAL ID：200907001443685738   Nikkaji number：J1.419.186K

4-Nitrobenzenesulfonic acid (R)-2-(3-chlorophenyl)-2-hydroxyethyl ester

4-ニトロベンゼンスルホン酸(R)-2-(3-クロロフェニル)-2-ヒドロキシエチル
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： C14H12Cl[N+]O5[O-]S
Molecular formula furigana： C14-H12-CL-N-O6-S
Molecular weight： 357.760
InChI： InChI=1S/C14H12ClNO6S/c15-11-3-1-2-10(8-11)14(17)9-22-23(20,21)13-6-4-12(5-7-13)16(18)19/h1-8,14,17H,9H2/t14-/m0/s1
InChI key： JYKRCYIXJILLSE-AWEZNQCLSA-N
SMILES： O[C@@H](COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1cccc(Cl)c1
Systematic name  (3)：
  • 4-ニトロベンゼンスルホン酸(R)-2-(3-クロロフェニル)-2-ヒドロキシエチル
  • (1R)-1-(3-クロロフェニル)-2-[(4-ニトロベンゼンスルホニル)オキシ]エタン-1-オール
  • (1R)-1-(3-chlorophenyl)-2-[(4-nitrobenzenesulfonyl)oxy]ethan-1-ol
Other name (1)：
  • 4-Nitrobenzenesulfonic acid (R)-2-(3-chlorophenyl)-2-hydroxyethyl ester
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