Chem
J-GLOBAL ID：200907092261175950   Nikkaji number：J1.352.184K

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

3-[[(1R)-2β-(ベンジルオキシ)シクロヘキサン-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： C22H24O2[O-]2[S+]2
Molecular formula furigana： C22-H24-O4-S2
Molecular weight： 416.550
InChI： InChI=1S/C22H24O4S2/c23-27-15-18(16-28(24)22-13-7-6-12-21(22)27)26-20-11-5-4-10-19(20)25-14-17-8-2-1-3-9-17/h1-3,6-9,12-13,15,19-20H,4-5,10-11,14,16H2/t19-,20+,27?,28?/m0/s1
InChI key： QFYPPOOKUXRTFE-PUYHJCMUSA-N
SMILES： [O-][S+]1CC(=C[S+]([O-])c2ccccc12)O[C@@H]1CCCC[C@@H]1OCc1ccccc1
Systematic name  (3)：
  • 3-[[(1R)-2β-(ベンジルオキシ)シクロヘキサン-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-(ベンジルオキシ)シクロヘキシル]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-(benzyloxy)cyclohexyl]oxy}-4,5-dihydro-1H-1,5-benzodithiepine-1,5-diium-1,5-bis(olate)
Other name (1)：
  • 3-[[(1R)-2β-(Benzyloxy)cyclohexane-1β-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide
Thsaurus map：
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