Chem
J-GLOBAL ID:200907017626910092   Nikkaji number:J1.411.151D

1,2-Bis(benzoylthio)-1,6-dimercapto-3-thia-1,5-hexadiene-5,6-dicarboxylic acid dimethyl ester

1,2-ビス(ベンゾイルチオ)-1,6-ジメルカプト-3-チア-1,5-ヘキサジエン-5,6-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: C23H20O6S5
Molecular formula furigana: C23-H20-O6-S5
Molecular weight: 552.710
InChI: InChI=1S/C23H20O6S5/c1-28-18(24)16(17(30)19(25)29-2)13-32-23(34-21(27)15-11-7-4-8-12-15)22(31)33-20(26)14-9-5-3-6-10-14/h3-12,30-31H,13H2,1-2H3
InChI key: ATYQWXPLVLJYRN-UHFFFAOYSA-N
SMILES: COC(=O)C(=C(CSC(=C(S)SC(=O)c1ccccc1)SC(=O)c1ccccc1)C(=O)OC)S
Systematic name  (3):
  • 1,2-ビス(ベンゾイルチオ)-1,6-ジメルカプト-3-チア-1,5-ヘキサジエン-5,6-ジカルボン酸ジメチル
  • 1,4-ジメチル 2-({[1,2-ビス(ベンゾイルスルファニル)-2-スルファニルエテニル]スルファニル}メチル)-3-スルファニルブタ-2-エンジオアート
  • 1,4-dimethyl 2-({[1,2-bis(benzoylsulfanyl)-2-sulfanylethenyl]sulfanyl}methyl)-3-sulfanylbut-2-enedioate
Other name (1):
  • 1,2-Bis(benzoylthio)-1,6-dimercapto-3-thia-1,5-hexadiene-5,6-dicarboxylic acid dimethyl ester
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