Chem
J-GLOBAL ID:200907050729183714   Nikkaji number:J849.103H

2,2′-(1-Nitroso-1,2-ethanediylidene)bis(1,3-dithiol-4,5-dicarboxylic acid dimethyl) ester

2,2′-(1-ニトロソ-1,2-エタンジイリデン)ビス(1,3-ジチオール-4,5-ジカルボン酸ジメチル)
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: C16H13NO9S4
Molecular formula furigana: C16-H13-N-O9-S4
Molecular weight: 491.520
InChI: InChI=1S/C16H13NO9S4/c1-23-12(18)8-9(13(19)24-2)28-7(27-8)5-6(17-22)16-29-10(14(20)25-3)11(30-16)15(21)26-4/h5H,1-4H3
InChI key: XZQOBVJQWZPIBO-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(S/C(=C\C(=C/2\SC(=C(S2)C(=O)OC)C(=O)OC)\N=O)/S1)C(=O)OC
Systematic name  (3):
  • 2,2′-(1-ニトロソ-1,2-エタンジイリデン)ビス(1,3-ジチオール-4,5-ジカルボン酸ジメチル)
  • 4,5-ジメチル 2-{2-[4,5-ビス(メトキシカルボニル)-2H-1,3-ジチオール-2-イリデン]-2-ニトロソエチリデン}-2H-1,3-ジチオール-4,5-ジカルボキシラート
  • 4,5-dimethyl 2-{2-[4,5-bis(methoxycarbonyl)-2H-1,3-dithiol-2-ylidene]-2-nitrosoethylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Other name (1):
  • 2,2′-(1-Nitroso-1,2-ethanediylidene)bis(1,3-dithiol-4,5-dicarboxylic acid dimethyl) ester
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