Chem
J-GLOBAL ID：200907009511329695   Nikkaji number：J1.322.510I

2-(4-Methylphenyl)-6,7-dihydro-5H-1,4-dithiepin 1,1,4,4-tetraoxide

2-(4-メチルフェニル)-6,7-ジヒドロ-5H-1,4-ジチエピン1,1,4,4-テトラオキシド
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： C12H14[O-]4[S+2]2
Molecular formula furigana： C12-H14-O4-S2
Molecular weight： 286.360
InChI： InChI=1S/C12H14O4S2/c1-10-3-5-11(6-4-10)12-9-17(13,14)7-2-8-18(12,15)16/h3-6,9H,2,7-8H2,1H3
InChI key： KZYCUCAZAITGMW-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C1=C[S+2]([O-])([O-])CCC[S+2]1([O-])[O-]
Systematic name  (3)：
  • 2-(4-メチルフェニル)-6,7-ジヒドロ-5H-1,4-ジチエピン1,1,4,4-テトラオキシド
  • 3-(4-メチルフェニル)-4,5,6,7-テトラヒドロ-1H-1,4-ジチエピン-1,1,4,4-テトライウム-1,1,4,4-テトラキス(オラート)
  • 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-1,4-dithiepine-1,1,4,4-tetraium-1,1,4,4-tetrakis(olate)
Other name (1)：
  • 2-(4-Methylphenyl)-6,7-dihydro-5H-1,4-dithiepin 1,1,4,4-tetraoxide
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