4-(2-Ethylisoxazol-2-ium-5-yl)benzenesulfonate hydrate

Catalog No. :
ACDMGZ595
CAS No. :
200134-11-8
Molecular Formula :
C11H13NO5S
Molecular Weight :
271.29

IUPAC Name:4-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate hydrate

4-(2-Ethylisoxazol-2-ium-5-yl)benzenesulfonate hydrate structure diagram
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Product Information

Product Name4-(2-Ethylisoxazol-2-ium-5-yl)benzenesulfonate hydrate
IUPAC Name4-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate hydrate
MDL No.MFCD00167241
Molecular FormulaC11H13NO5S
Molecular Weight271.29
SMILESO=S(C1=CC=C(C2=CC=[N+](CC)O2)C=C1)([O-])=O.[H]O[H]
InChI KeyKMRQGDJYVNWHSI-UHFFFAOYSA-N
Synonym2-ETHYL-5-PHENYLISOXAZOLIUM 4'-SULFONATE MONOHYDRATE;2-ETHYL-5-PHENYLISOXAZOLIUM 4'-SULFONATE MONOHYDRATE;Isoxazolium, 2-ethyl-5-(4-sulfophenyl)-, inner salt, hydrate (1:1)
CAS No.200134-11-8

Synthetic Route by SureRoute

1. ACDMGZ595 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACDMGZ595 route product structure diagram
    ACDMGZ595200134-11-8
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2. ACDMGZ595 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACDMGZ595 route product structure diagram
    ACDMGZ595200134-11-8
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