Chem
J-GLOBAL ID：200907002863292819   Nikkaji number：J192.582B

3-Oxo-3H-2,1-benzoxathiole 1,1-dioxide

3H-2,1-ベンゾオキサチオール-3-オン1,1-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： C7H4O2[O-]2[S+2]
Molecular formula furigana： C7-H4-O4-S
Molecular weight： 184.170
InChI： InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChI key： NCYNKWQXFADUOZ-UHFFFAOYSA-N
SMILES： [O-][S+2]1([O-])OC(=O)c2ccccc12
Systematic name  (4)：
  • 3-オキソ-3H-2,1-ベンゾオキサチオール1,1-ジオキシド
  • 3H-2,1-ベンゾオキサチオール-3-オン1,1-ジオキシド
  • 3-オキソ-1,3-ジヒドロ-2,1-ベンゾオキサチオール-1,1-ジイウム-1,1-ビス(オラート)
  • 3-oxo-1,3-dihydro-2,1-benzoxathiole-1,1-diium-1,1-bis(olate)
Other name (2)：
  • 3-Oxo-3H-2,1-benzoxathiole 1,1-dioxide
  • 3H-2,1-Benzoxathiole-3-one 1,1-dioxide
CAS registry number： 81-08-3
Regulation number (2)：
  • EINECS2013226
  • TSCA(81-08-3)
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