Chem
J-GLOBAL ID:200907027256783377   Nikkaji number:J2.686.950A

3-[(4-Methyl-2,6-dioxa-9-thiabicyclo[5.3.0]deca-1(10),7-diene-4-yl)methoxy]-1-propanesulfonic acid sodium salt

ナトリウム 3-({3-メチル-2H,3H,4H-チエノ[3,4-b][1,4]ジオキセピン-3-イル}メトキシ)プロパン-1-スルホナート
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: C12H17NaO6S2
Molecular formula furigana: C12-H17-NA-O6-S2
Molecular weight: 344.370
InChI: InChI=1S/C12H18O6S2.Na/c1-12(7-16-3-2-4-20(13,14)15)8-17-10-5-19-6-11(10)18-9-12;/h5-6H,2-4,7-9H2,1H3,(H,13,14,15);/q;+1/p-1
InChI key: RLUPVJJYEGWFMZ-UHFFFAOYSA-M
SMILES: CC1(COCCCS(=O)(=O)O[Na])COc2cscc2OC1
Systematic name  (3):
  • 3-[(4-メチル-2,6-ジオキサ-9-チアビシクロ[5.3.0]デカ-1(10),7-ジエン-4-イル)メトキシ]-1-プロパンスルホン酸ナトリウム
  • ナトリウム 3-({3-メチル-2H,3H,4H-チエノ[3,4-b][1,4]ジオキセピン-3-イル}メトキシ)プロパン-1-スルホナート
  • sodium 3-({3-methyl-2H,3H,4H-thieno[3,4-b][1,4]dioxepin-3-yl}methoxy)propane-1-sulfonate
Other name (1):
  • 3-[(4-Methyl-2,6-dioxa-9-thiabicyclo[5.3.0]deca-1(10),7-diene-4-yl)methoxy]-1-propanesulfonic acid sodium salt
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