Chem
J-GLOBAL ID：200907040887502449   Nikkaji number：J1.352.187E

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

3-[[(3R)-4β-(ベンジルオキシ)テトラヒドロフラン-3β-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： C20H20O3[O-]2[S+]2
Molecular formula furigana： C20-H20-O5-S2
Molecular weight： 404.500
InChI： InChI=1S/C20H20O5S2/c21-26-13-16(14-27(22)20-9-5-4-8-19(20)26)25-18-12-23-11-17(18)24-10-15-6-2-1-3-7-15/h1-9,13,17-18H,10-12,14H2/t17-,18+,26?,27?/m0/s1
InChI key： BPRRFPZCCBGMHV-GSLLORODSA-N
SMILES： [O-][S+]1CC(=C[S+]([O-])c2ccccc12)O[C@@H]1COC[C@@H]1OCc1ccccc1
Systematic name  (3)：
  • 3-[[(3R)-4β-(ベンジルオキシ)テトラヒドロフラン-3β-イル]オキシ]-2H-1,5-ベンゾジチエピン1,5-ジオキシド
  • 3-{[(3R,4S)-4-(ベンジルオキシ)オキソラン-3-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-{[(3R,4S)-4-(benzyloxy)oxolan-3-yl]oxy}-4,5-dihydro-1H-1,5-benzodithiepine-1,5-diium-1,5-bis(olate)
Other name (1)：
  • 3-[[(3R)-4β-(Benzyloxy)tetrahydrofuran-3β-yl]oxy]-2H-1,5-benzodithiepin 1,5-dioxide
Thsaurus map：
Thesaurus Map

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