Chem
J-GLOBAL ID:200907082730210333   Nikkaji number:J1.352.185I

3-[[(1R)-2β-Acetoxycyclopentane-1β-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide

3-[[(1R)-2β-アセトキシシクロペンタン-1β-イル]オキシ]-2H-1,5-ベンゾジチエピン1,5-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: C16H18O3[O-]2[S+]2
Molecular formula furigana: C16-H18-O5-S2
Molecular weight: 354.440
InChI: InChI=1S/C16H18O5S2/c1-11(17)20-13-5-4-6-14(13)21-12-9-22(18)15-7-2-3-8-16(15)23(19)10-12/h2-3,7-9,13-14H,4-6,10H2,1H3/t13-,14+,22?,23?/m0/s1
InChI key: VINLXDGVOXOEDD-HALFDYLASA-N
SMILES: CC(=O)O[C@H]1CCC[C@H]1OC1=C[S+]([O-])c2ccccc2[S+]([O-])C1
Systematic name  (3):
  • 3-[[(1R)-2β-アセトキシシクロペンタン-1β-イル]オキシ]-2H-1,5-ベンゾジチエピン1,5-ジオキシド
  • 3-{[(1R,2S)-2-(アセチルオキシ)シクロペンチル]オキシ}-4,5-ジヒドロ-1H-1,5-ベンゾジチエピン-1,5-ジイウム-1,5-ビス(オラート)
  • 3-{[(1R,2S)-2-(acetyloxy)cyclopentyl]oxy}-4,5-dihydro-1H-1,5-benzodithiepine-1,5-diium-1,5-bis(olate)
Other name (1):
  • 3-[[(1R)-2β-Acetoxycyclopentane-1β-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide
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