Chem
J-GLOBAL ID：200907089551446639   Nikkaji number：J1.352.186G

3-[[(1R)-2β-Acetoxy-4-cyclooctene-1β-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide

3-[[(1R)-2β-アセトキシ-4-シクロオクテン-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： C19H22O3[O-]2[S+]2
Molecular formula furigana： C19-H22-O5-S2
Molecular weight： 394.500
InChI： InChI=1S/C19H22O5S2/c1-14(20)23-16-8-4-2-3-5-9-17(16)24-15-12-25(21)18-10-6-7-11-19(18)26(22)13-15/h2,4,6-7,10-12,16-17H,3,5,8-9,13H2,1H3/t16-,17+,25?,26?/m0/s1
InChI key： JCWCKFYOHUXRAM-RVSZBUAKSA-N
SMILES： CC(=O)O[C@H]1CC=CCCC[C@H]1OC1=C[S+]([O-])c2ccccc2[S+]([O-])C1
Systematic name  (3)：
  • 3-[[(1R)-2β-アセトキシ-4-シクロオクテン-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)シクロオクタ-4-エン-1-イル]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)cyclooct-4-en-1-yl]oxy}-4,5-dihydro-1H-1,5-benzodithiepine-1,5-diium-1,5-bis(olate)
Other name (1)：
  • 3-[[(1R)-2β-Acetoxy-4-cyclooctene-1β-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide
Thsaurus map：
Thesaurus Map

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