Chem
J-GLOBAL ID:200907048338704090   Nikkaji number:J1.059.481B

4-Methyl-3aα,4,7,7aα-tetrahydro-3H-2,1-benzoxathiole 1,1-dioxide

4-メチル-3aα,4,7,7aα-テトラヒドロ-3H-2,1-ベンゾオキサチオール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: C8H12O[O-]2[S+2]
Molecular formula furigana: C8-H12-O3-S
Molecular weight: 188.240
InChI: InChI=1S/C8H12O3S/c1-6-3-2-4-8-7(6)5-11-12(8,9)10/h2-3,6-8H,4-5H2,1H3/t6?,7-,8+/m0/s1
InChI key: DOAMCAMLEPWBMX-ZHFSPANRSA-N
SMILES: CC1C=CC[C@@H]2[C@H]1CO[S+2]2([O-])[O-]
Systematic name  (3):
  • 4-メチル-3aα,4,7,7aα-テトラヒドロ-3H-2,1-ベンゾオキサチオール1,1-ジオキシド
  • (3aR,7aR)-4-メチル-1,3,3a,4,7,7a-ヘキサヒドロ-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)
  • (3aR,7aR)-4-methyl-1,3,3a,4,7,7a-hexahydro-2,1-benzoxathiole-1,1-diium-1,1-bis(olate)
Other name (1):
  • 4-Methyl-3aα,4,7,7aα-tetrahydro-3H-2,1-benzoxathiole 1,1-dioxide
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