Chem
J-GLOBAL ID：201107017082455840   Nikkaji number：J2.891.060F

2-Oxo-5-methyl-1,3-dioxane-5-carboxylic acid 2-[(2,4-dinitrophenyl)thio]ethyl ester

2-オキソ-5-メチル-1,3-ジオキサン-5-カルボン酸2-[(2,4-ジニトロフェニル)チオ]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： C14H14[N+]2O7[O-]2S
Molecular formula furigana： C14-H14-N2-O9-S
Molecular weight： 386.330
InChI： InChI=1S/C14H14N2O9S/c1-14(7-24-13(18)25-8-14)12(17)23-4-5-26-11-3-2-9(15(19)20)6-10(11)16(21)22/h2-3,6H,4-5,7-8H2,1H3
InChI key： MBZPPJWPVRVETE-UHFFFAOYSA-N
SMILES： CC1(COC(=O)OC1)C(=O)OCCSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • 2-オキソ-5-メチル-1,3-ジオキサン-5-カルボン酸2-[(2,4-ジニトロフェニル)チオ]エチル
  • 2-[(2,4-ジニトロフェニル)スルファニル]エチル 5-メチル-2-オキソ-1,3-ジオキサン-5-カルボキシラート
  • 2-[(2,4-dinitrophenyl)sulfanyl]ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
Other name (1)：
  • 2-Oxo-5-methyl-1,3-dioxane-5-carboxylic acid 2-[(2,4-dinitrophenyl)thio]ethyl ester
Thsaurus map：
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