Chem
J-GLOBAL ID：200907089455129959   Nikkaji number：J1.236.265J

1,3,7-Trimethyldibenzothiophene 5,5-dioxide

1,3,7-トリメチルジベンゾチオフェン5,5-ジオキシド
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： C15H14[O-]2[S+2]
Molecular formula furigana： C15-H14-O2-S
Molecular weight： 258.339
InChI： InChI=1S/C15H14O2S/c1-9-4-5-12-13(7-9)18(16,17)14-8-10(2)6-11(3)15(12)14/h4-8H,1-3H3
InChI key： VWYWIEGCUPXYEX-UHFFFAOYSA-N
SMILES： Cc1ccc2c(c1)[S+2]([O-])([O-])c1cc(C)cc(C)c21
Systematic name  (3)：
  • 1,3,7-トリメチルジベンゾチオフェン5,5-ジオキシド
  • 3,5,11-トリメチル-8-チアトリシクロ[7.4.0.02,7]トリデカ-1(13),2,4,6,9,11-ヘキサエン-8,8-ジイウム-8,8-ビス(オラート)
  • 3,5,11-trimethyl-8-thiatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-8,8-diium-8,8-bis(olate)
Other name (1)：
  • 1,3,7-Trimethyldibenzothiophene 5,5-dioxide
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