Chem
J-GLOBAL ID：201507050682334180   Nikkaji number：J3.334.287J

2,2′-(3,4,4-Trichloro-2-nitro-1,3-butadiene-1,1-diylbisthio)bis(acetic acid methyl) ester

2,2′-(3,4,4-トリクロロ-2-ニトロ-1,3-ブタジエン-1,1-ジイルビスチオ)ビス(酢酸メチル)
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： C10H10Cl3[N+]O5[O-]S2
Molecular formula furigana： C10-H10-CL3-N-O6-S2
Molecular weight： 410.660
InChI： InChI=1S/C10H10Cl3NO6S2/c1-19-5(15)3-21-10(22-4-6(16)20-2)8(14(17)18)7(11)9(12)13/h3-4H2,1-2H3
InChI key： XSRZLRJIUFNQTE-UHFFFAOYSA-N
SMILES： COC(=O)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC(=O)OC
Systematic name  (3)：
  • 2,2′-(3,4,4-トリクロロ-2-ニトロ-1,3-ブタジエン-1,1-ジイルビスチオ)ビス(酢酸メチル)
  • メチル 2-({3,4,4-トリクロロ-1-[(2-メトキシ-2-オキソエチル)スルファニル]-2-ニトロブタ-1,3-ジエン-1-イル}スルファニル)アセタート
  • methyl 2-({3,4,4-trichloro-1-[(2-methoxy-2-oxoethyl)sulfanyl]-2-nitrobuta-1,3-dien-1-yl}sulfanyl)acetate
Other name (1)：
  • 2,2′-(3,4,4-Trichloro-2-nitro-1,3-butadiene-1,1-diylbisthio)bis(acetic acid methyl) ester
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